SCHEMBL5850352

SCHEMBL5850352

CSc1nccc(-c2cc[nH]c2-c2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.53
CSNK1D P48730 2/20 0.53
JAK3 P52333 1/20 0.53
GCGR P47871 1/20 0.49
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CSNK1E P49674 1/20 0.46
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
CCNA1 P78396 1/20 0.43
LMNA P02545 2/20 0.43
MAPK13 O15264 7/20 0.42
MAPK12 P53778 7/20 0.42
MAPK11 Q15759 7/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL21621304 0.81 L3MBTL1 (0.58) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL5850146 0.78 MAPK14 (0.49) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL7670525 0.78 MAPK14 (0.62) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL5850429 0.77 PTGS2 (0.57) MAPK14CSNK1DGCGRCSNK1EALDH1A1
SCHEMBL1554639 0.76 MAPK14 (0.54) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL6579207 0.76 MAPK14 (0.53) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL1878087 0.74 MAPK14 (0.48) MAPK14CSNK1DJAK3GCGRCCNA2
SCHEMBL6488266 0.74 MAPK14 (0.54) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL6619193 0.73 MAPK14 (0.53) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL7982783 0.73 MAPK14 (0.50) MAPK14CSNK1DJAK3CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 CN disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
CN-1295069-A Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2001-05-16 CN disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B MAPK14 3902/4885CSNK1D 504/4885JAK3 1896/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MAPK14 4157/4885CSNK1D 669/4885JAK3 1352/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MAPK14 3593/4885CSNK1D 1251/4885JAK3 1464/4885

“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.