SCHEMBL13209986

SCHEMBL13209986

COc1ncccc1-c1c(C(=O)O)n(Cc2ccnc(NC(=O)OC(C)(C)C)c2)c2ccc3ccccc3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.35
IGF1R P08069 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
DHODH Q02127 1/20 0.34
TBK1 Q9UHD2 3/20 0.34
P2RX3 P56373 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
SERPINE1 P05121 2/20 0.33
BRD4 O60885 1/20 0.33
CDK9 P50750 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
GSK3A P49840 1/20 0.33
MAPK10 P53779 1/20 0.33
RIOK2 Q9BVS4 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL13209987 0.94 PDE1A (0.37) CCR2IGF1RTLR7TBK1P2RX3
SCHEMBL13209991 0.90 PPARG (0.40) CCR2IGF1RTLR7TBK1P2RX3
SCHEMBL830670 0.85 CCR2 (0.40) CCR2IGF1RP2RX3SERPINE1CDK9
SCHEMBL828754 0.83 IGF1R (0.35) CCR2IGF1RTBK1P2RX3SERPINE1
SCHEMBL460937 0.83 SERPINE1 (0.42) IGF1RTBK1P2RX3SERPINE1CDK9
SCHEMBL10077325 0.81 CDK9 (0.35) CCR2IGF1RTLR7TBK1P2RX3
SCHEMBL829184 0.78 MKNK2 (0.43) IGF1RTBK1P2RX3CDK9MKNK2
SCHEMBL830623 0.77 MKNK2 (0.43) MKNK2EDNRBEDNRA
SCHEMBL862220 0.77 MKNK2 (0.43) CCR2IGF1RTBK1P2RX3BRD4
SCHEMBL831263 0.77 MKNK2 (0.46) CCR2IGF1RP2RX3CDK9MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546420-B2 4, 5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-01 US disclosed
US-8546420-B2 4, 5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-01 US disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 US disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 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 (1 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-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L CCR2 415/4885IGF1R 523/4885TLR7 1011/4885

“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.