SCHEMBL18526

SCHEMBL18526

COc1cccc2[nH]nc(N)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
PDPK1 O15530 2/20 0.56
ROCK1 Q13464 3/20 0.56
CDK5 Q00535 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
CDK8 P49336 1/20 0.56
MAP2K1 Q02750 2/20 0.51
KDR P35968 4/20 0.51
ABL1 P00519 3/20 0.51
LCK P06239 2/20 0.51
CSF1R P07333 2/20 0.51
FGFR1 P11362 2/20 0.51
PRKACA P17612 2/20 0.51
DAPK3 O43293 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
NTRK1 P04629 1/20 0.51
RET P07949 1/20 0.51
IGF1R P08069 1/20 0.51

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
SCHEMBL30522124 1.00 GAA (0.56) GAAPDPK1ROCK1CDK5CLK4
SCHEMBL16680793 0.85 KDR (0.56) GAAPDPK1ROCK1CDK5CLK4
SCHEMBL16681210 0.81 ROCK1 (0.67) GAAPDPK1ROCK1CDK5CLK4
SCHEMBL16680735 0.81 CLK4 (0.63) GAAPDPK1ROCK1CDK5CLK4
SCHEMBL1960297 0.80 HTR2A (0.51) GAAMAPK8HTR2ATTKKEAP1
SCHEMBL2995256 0.80 HTR2A (0.51) MAPK8HTR2ATTKKDM4EKEAP1
SCHEMBL215191 0.79 NPC1 (0.58) GAAPDPK1ROCK1CDK5CLK4
SCHEMBL30548031 0.79 HTR2A (0.50) MAPK8HTR2ATTKKDM4EKEAP1
SCHEMBL14631557 0.79 HTR2A (0.50) PDPK1MAPK8HTR2ATTKKEAP1
SCHEMBL16681561 0.78 GAA (0.51) GAAPDPK1ROCK1CDK5CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3738962-B1 SALTS OF A COMPOUND AND USE THEREOF MEDSPRING INTERNATIONAL LTD (CN) 2023-08-02 EP disclosed
EP-3738962-B1 SALTS OF A COMPOUND AND USE THEREOF MEDSPRING INTERNATIONAL LTD (CN) 2023-08-02 EP disclosed
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
CN-110028501-B Compound and preparation method and application thereof 迈德欣国际有限公司 2022-02-22 CN disclosed
EP-3515894-B1 INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES NOVARTIS AG (CH) 2021-04-07 EP disclosed
US-20210078985-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF MEDSPRING INTERNATIONAL LIMITED (CN) 2021-03-18 US disclosed
US-20210078985-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF MEDSPRING INTERNATIONAL LIMITED (CN) 2021-03-18 US disclosed
EP-3738962-A1 COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Medspring International Limited (CN) 2020-11-18 EP disclosed
EP-3738962-A1 COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Medspring International Limited (CN) 2020-11-18 EP disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
EP-2227464-A1 DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE Imperial Innovations Limited (GB) 2010-09-15 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
WO-2009071906-A1 DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE IMPERIAL INNOVATIONS LIMITED (GB) 2009-06-11 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 (4 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-20210078985-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF CCR4, CCR1, CCL11 GAA 1217/4885PDPK1 3407/4885ROCK1 1568/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 GAA 3619/4885PDPK1 1304/4885ROCK1 1501/4885
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 GAA 4288/4885PDPK1 610/4885ROCK1 3821/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 GAA 303/4885PDPK1 221/4885ROCK1 1329/4885

“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.