SCHEMBL544780

SCHEMBL544780

CCCCCc1c[nH]nc1N

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.42
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL9142197 0.94 TLR8 (0.41) TLR8PI4KAPI4K2BPI4K2API4KB
SCHEMBL7497418 0.86
SCHEMBL11261285 0.81 ALDH1A1 (0.35)
SCHEMBL27378739 0.78 TYR (0.37) TLR8
SCHEMBL370841 0.78 TDP1 (0.35) TLR8
SCHEMBL1010195 0.77
SCHEMBL31013116 0.77 TYR (0.40)
SCHEMBL28300224 0.77 LIPG (0.38)
SCHEMBL27671187 0.77 LIPG (0.38)
SCHEMBL1880278 0.77 ALOX5 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105792844-A Combination of anti-FGFR2 antibody and other agent 第三共株式会社 2016-07-20 CN claimed
EP-3440071-A1 FUSED HETEROCYCLIC ORGANIC COMPOUNDS AND USES THEREOF Perlara PBC (US) 2019-02-13 EP disclosed
US-10166236-B2 Pharmaceutical formulations comprising substituted pyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazines for treating lysosomal storage disorders PERLARA PBC (US) 2019-01-01 US disclosed
US-20170281635-A1 FUSED HETEROCYCLIC ORGANIC COMPOUNDS AND USES THEREOF PERLARA PBC 2017-10-05 US disclosed
WO-2017165311-A1 FUSED HETEROCYCLIC ORGANIC COMPOUNDS AND USES THEREOF PERLSTEIN LAB PBC (US) 2017-09-28 WO disclosed
CN-105792844-A Combination of anti-FGFR2 antibody and other agent 第三共株式会社 2016-07-20 CN disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-20050059650-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2005-03-17 US disclosed
WO-2005007658-A2 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
CN-1498885-A Synthesizing 3-acylamino pyrazole 伊斯曼柯达公司 2004-05-26 CN disclosed
EP-0788358-B1 USE OF PYRAZOLE COMPOUNDS FOR THE TREATMENT OF GLOMERULONEPHRITIS, CANCER, ATHEROSCLEROSIS OR RESTENOSIS MILLENNIUM PHARM INC (US) 2004-03-31 EP disclosed
US-5916908-A Pharmaceutical pyrazole compositions useful as inhibitors of protein kinases COR THERAPEUTICS, INC. (US) 1999-06-29 US disclosed
EP-0788358-A2 PHARMACEUTICAL PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES COR THERAPEUTICS, INC. (US) 1997-08-13 EP disclosed
WO-1996014843-A2 PHARMACEUTICAL PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES COR THERAPEUTICS, INC. (US) 1996-05-23 WO disclosed
US-5132424-A Anticholesterol, treatment of atherosclerosis THE UPJOHN COMPANY (US) 1992-07-21 US disclosed
EP-0425541-A1 PYRAZOLO-AZOLO-PYRIMIDINE-DIONES THE UPJOHN COMPANY (US) 1991-05-08 EP disclosed
WO-1990001031-A1 PYRAZOLO-PYRROLO-PYRIMIDINE-DIONES THE UPJOHN COMPANY (US) 1990-02-08 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-20170281635-A1 FUSED HETEROCYCLIC ORGANIC COMPOUNDS AND USES THEREOF NPC1L1, NPC1, LIPA TLR8 4519/4885PI4KA 1352/4885PI4K2B 1187/4885
US-10166236-B2 Pharmaceutical formulations comprising substituted pyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazines for treating lysosomal storage disorders NPC1L1, NPC1, GBA1 TLR8 4485/4885PI4KA 645/4885PI4K2B 347/4885
US-20050059650-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 TLR8 3902/4885PI4KA 2402/4885PI4K2B 2580/4885

“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.