SCHEMBL828754

SCHEMBL828754

C#Cc1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)O)n2Cc1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
SERPINE1 P05121 2/20 0.34
CDK9 P50750 1/20 0.34
TBK1 Q9UHD2 3/20 0.33
EDNRB P24530 4/20 0.33
EDNRA P25101 3/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CCR2 P41597 2/20 0.32
RORC P51449 1/20 0.32
P2RX3 P56373 1/20 0.32
TP53 P04637 1/20 0.32
BRD4 O60885 1/20 0.32
RIPK3 Q9Y572 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
SCHEMBL830782 0.91 PPARG (0.38) IGF1RGABRA1GABRG2GABRB3GABRA5
SCHEMBL830670 0.89 CCR2 (0.40) IGF1RSERPINE1CDK9MKNK2CCR2
SCHEMBL460937 0.86 SERPINE1 (0.42) IGF1RSERPINE1CDK9TBK1EDNRB
SCHEMBL832108 0.85 PDE4A (0.39) EDNRBEDNRACCR2TP53
SCHEMBL10077325 0.84 CDK9 (0.35) IGF1RSERPINE1CDK9TBK1EDNRB
SCHEMBL13209986 0.83 CCR2 (0.35) IGF1RSERPINE1CDK9TBK1EDNRB
SCHEMBL829469 0.83 MKNK2 (0.40) IGF1RGABRA1GABRG2GABRB3GABRA5
SCHEMBL829184 0.81 MKNK2 (0.43) IGF1RCDK9TBK1MKNK2P2RX3
SCHEMBL862220 0.81 MKNK2 (0.43) IGF1RCDK9TBK1MKNK2CCR2
SCHEMBL831263 0.81 MKNK2 (0.46) IGF1RCDK9MKNK2CCR2P2RX3

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 IGF1R 3096/4885GABRA1 2809/4885GABRG2 3809/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 IGF1R 2798/4885GABRA1 4029/4885GABRG2 4196/4885

“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.