SCHEMBL4464948

SCHEMBL4464948

COc1ccc2c(c1)/C(=C/c1cc(C)c(C(=O)O)[nH]1)C(=O)N2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.60
TLK2 Q86UE8 4/20 0.58
PDPK1 O15530 2/20 0.58
KDR P35968 7/20 0.56
LCK P06239 6/20 0.56
CDK2 P24941 4/20 0.56
CDK1 P06493 3/20 0.56
MAPK1 P28482 2/20 0.56
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
CDK7 P50613 2/20 0.56
CDK9 P50750 2/20 0.56
CDK5 Q00535 2/20 0.56
CCNE1 P24864 2/20 0.56
CCNB2 O95067 2/20 0.56
CCNB1 P14635 2/20 0.56
CCNB3 Q8WWL7 2/20 0.56
PLK4 O00444 1/20 0.56
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56

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
SCHEMBL4464952 1.00 RET (0.60) RETTLK2PDPK1KDRLCK
SCHEMBL3799794 0.91 KDR (0.59) RETTLK2PDPK1KDRCDK1
SCHEMBL3799795 0.91 KDR (0.59) RETTLK2PDPK1KDRCDK1
SCHEMBL3796882 0.84 MEN1 (0.59) RETPDPK1KDRCDK1CCNB2
SCHEMBL3796876 0.84 MEN1 (0.59) RETPDPK1KDRCDK1CCNB2
SCHEMBL4457553 0.82 KDR (0.56) RETTLK2PDPK1KDRLCK
SCHEMBL4457557 0.82 KDR (0.56) RETTLK2PDPK1KDRLCK
SCHEMBL2117432 0.79 KDR (0.63) RETTLK2PDPK1KDRLCK
SCHEMBL13755189 0.79 KDR (0.63) RETTLK2PDPK1KDRLCK
SCHEMBL31672503 0.79 KDR (0.63) RETTLK2PDPK1KDRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 US disclosed
EP-3246046-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2017-11-22 EP disclosed
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
US-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 US disclosed
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 US disclosed
US-7125905-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
US-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2005-08-11 US disclosed
US-6878733-B1 Formulations for pharmaceutical agents ionizable as free acids or free bases SUGEN, INC. (US) 2005-04-12 US disclosed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US disclosed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US disclosed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US disclosed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 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 (6 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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR RET 48/4885TLK2 907/4885PDPK1 1088/4885
US-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 RET 485/4885TLK2 388/4885PDPK1 1/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 RET 355/4885TLK2 608/4885PDPK1 857/4885
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK RET 495/4885TLK2 380/4885PDPK1 1/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 RET 485/4885TLK2 388/4885PDPK1 1/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 RET 485/4885TLK2 388/4885PDPK1 1/4885

“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.