SCHEMBL830670

SCHEMBL830670

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.40
CDK9 P50750 1/20 0.40
P2RX3 P56373 1/20 0.39
PTGER1 P34995 2/20 0.38
CYP2C9 P11712 1/20 0.38
SERPINE1 P05121 2/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
PPARG P37231 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IGF1R P08069 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL831263 0.91 MKNK2 (0.46) CCR2CDK9P2RX3PTGER1CYP2C9
SCHEMBL829235 0.89 CCR2 (0.42) CCR2CDK9P2RX3PTGER1CYP2C9
SCHEMBL828754 0.89 IGF1R (0.35) CCR2CDK9P2RX3SERPINE1MKNK2
SCHEMBL460937 0.88 SERPINE1 (0.42) CDK9P2RX3SERPINE1MKNK2IGF1R
SCHEMBL830572 0.88 CCR2 (0.39) CCR2CDK9P2RX3PTGER1CYP2C9
SCHEMBL13209986 0.85 CCR2 (0.35) CCR2CDK9P2RX3SERPINE1MKNK2
SCHEMBL10077325 0.85 CDK9 (0.35) CCR2CDK9P2RX3SERPINE1MKNK2
SCHEMBL832301 0.84 PTGDR2 (0.42) CCR2CYP2C9MAPTMEN1CYP3A4
SCHEMBL829184 0.83 MKNK2 (0.43) CDK9P2RX3CYP2C9MKNK2MAPT
SCHEMBL862220 0.83 MKNK2 (0.43) CCR2CDK9P2RX3CYP2C9MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING 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 CCR2 185/4885CDK9 1963/4885P2RX3 3132/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 CCR2 106/4885CDK9 2081/4885P2RX3 1125/4885

“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.