SCHEMBL803121

SCHEMBL803121

CC(C)(C)c1ncnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
CYP1A2 P05177 1/20 0.47
ADORA2A P29274 2/20 0.47
SSTR4 P31391 1/20 0.46
EGFR P00533 2/20 0.44
DAPK3 O43293 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
ERBB2 P04626 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
LTK P29376 1/20 0.43
MAPK8 P45983 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19185467 0.84 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL16240748 0.84 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL10273027 0.81 CYP1A2 (0.46) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL21305275 0.75 FYN (0.42) EGFRLRRK2ALDH1A1TDP1
SCHEMBL21849276 0.75 HTT (0.47) MAP4K4LMNAMAPK1L3MBTL1ALDH1A1
SCHEMBL10029625 0.75 EGFR (0.42) EGFR
SCHEMBL22337664 0.75 EGFR (0.42) EGFR
SCHEMBL4548618 0.75 KIF11 (0.36) EGFRLRRK2HRH4PKMALDH1A1
SCHEMBL9928498 0.73 MAPT (0.52) LMNANPC1POLBTSHRL3MBTL1
SCHEMBL12744657 0.73 USP10 (0.45) MAP4K4HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 190 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327882-A2 ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER The Board of Trustees of the Leland Stanford Junior University (US) 2024-02-28 EP disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST KYOTO UNIVERSITY (JP) 2023-11-23 US disclosed
US-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST KYOTO UNIVERSITY (JP) 2023-11-23 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-7351732-B2 Cycloalkanedione derivatives, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2008-04-01 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST ADRA2A, ADRB2, ADRA2B PI4KA 2888/4885PI4K2B 1916/4885PI4K2A 1899/4885
US-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP PI4KA 3840/4885PI4K2B 4219/4885PI4K2A 4492/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ PI4KA 4090/4885PI4K2B 4137/4885PI4K2A 3785/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS PI4KA 3855/4885PI4K2B 4269/4885PI4K2A 4496/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 PI4KA 1739/4885PI4K2B 2844/4885PI4K2A 2898/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PI4KA 4145/4885PI4K2B 4137/4885PI4K2A 3812/4885
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 PI4KA 3198/4885PI4K2B 4431/4885PI4K2A 4200/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PI4KA 711/4885PI4K2B 833/4885PI4K2A 747/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP PI4KA 3840/4885PI4K2B 4219/4885PI4K2A 4492/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PI4KA 4145/4885PI4K2B 4137/4885PI4K2A 3812/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET PI4KA 376/4885PI4K2B 587/4885PI4K2A 625/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PI4KA 1151/4885PI4K2B 1469/4885PI4K2A 925/4885
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors GFPT1, MPST, XPNPEP1 PI4KA 3899/4885PI4K2B 3773/4885PI4K2A 3491/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.