SCHEMBL4718490

SCHEMBL4718490

Cn1ncc2c(N)cc(F)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
MAPT P10636 3/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 1/20 0.33
BCDIN3D Q7Z5W3 1/20 0.32
HDAC3 O15379 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HTR2C P28335 4/20 0.31
HTR2A P28223 2/20 0.30
CDC7 O00311 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL30860950 1.00 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL614642 0.81 PTGER3 (0.36) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL30251519 0.81 PTGER3 (0.36) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL30861129 0.79 ADORA2A (0.39) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL27228033 0.79 ADORA2A (0.39) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL27228198 0.79 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30860818 0.79 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30855850 0.78 GAA (0.35) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL459070 0.78 IDO1 (0.42) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL15209635 0.78 GAA (0.35) PI4KAPI4K2BPI4K2API4KBMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
US-7442701-B2 Amino-heterocycles as VR-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2008-10-28 US disclosed
EP-1562934-B1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME (GB) 2008-03-26 EP disclosed
US-20070078156-A1 Derivatives of n-(1h-indazolyl)-and n-(1h-indolyl)-urea as well as related compounds as modulators of the vanilloid-1 receptor (vr1) for treatment of pain MERCK SHARP & DOHME LTD. (GB) 2007-04-05 US disclosed
EP-1675587-A2 DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN MERCK SHARP & DOHME LTD. (GB) 2006-07-05 EP disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
WO-2005028445-A2 DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-03-31 WO disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 WO 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 (3 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-20070078156-A1 Derivatives of n-(1h-indazolyl)-and n-(1h-indolyl)-urea as well as related compounds as modulators of the vanilloid-1 receptor (vr1) for treatment of pain CNR1, OPRL1, SIGMAR1 PI4KA 1973/4885PI4K2B 2088/4885PI4K2A 2363/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 PI4KA 308/4885PI4K2B 354/4885PI4K2A 373/4885
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 PI4KA 2877/4885PI4K2B 2345/4885PI4K2A 2645/4885

“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.