SCHEMBL460937

SCHEMBL460937

COc1ncccc1-c1c(C(=O)O)n(Cc2ccnc(NC(=O)OC(C)(C)C)c2)c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.42
ABL1 P00519 1/20 0.39
F2RL3 Q96RI0 4/20 0.38
IGF1R P08069 1/20 0.38
EDNRB P24530 3/20 0.37
EDNRA P25101 2/20 0.37
GCGR P47871 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PTGES O14684 1/20 0.36
CDK9 P50750 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GSK3B P49841 1/20 0.34
P2RX3 P56373 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL386134 0.92 MKNK2 (0.44) SERPINE1ABL1F2RL3IGF1RGCGR
SCHEMBL830670 0.88 CCR2 (0.40) SERPINE1IGF1RMKNK2CDK9P2RX3
SCHEMBL828754 0.86 IGF1R (0.35) SERPINE1IGF1REDNRBEDNRAMKNK2
SCHEMBL829622 0.86 MKNK2 (0.42) SERPINE1ABL1IGF1RGCGRMKNK2
SCHEMBL830623 0.84 MKNK2 (0.43) EDNRBEDNRAMKNK2
SCHEMBL862270 0.84 MKNK2 (0.44) EDNRBMKNK2
SCHEMBL13209986 0.83 CCR2 (0.35) SERPINE1IGF1REDNRBEDNRAMKNK2
SCHEMBL12655601 0.82 MKNK2 (0.42) IGF1RMKNK2CDK9TBK1P2RX3
SCHEMBL10077325 0.82 CDK9 (0.35) SERPINE1IGF1REDNRBEDNRAMKNK2
SCHEMBL829184 0.82 MKNK2 (0.43) IGF1RMKNK2CDK9TBK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614229-B2 Substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
EP-2408761-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2012-01-25 EP disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
EP-2197884-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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 (2 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 SERPINE1 2496/4885ABL1 83/4885F2RL3 3061/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT SERPINE1 4180/4885ABL1 59/4885F2RL3 2767/4885

“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.