SCHEMBL1046989

SCHEMBL1046989

CC(C)(C)OC(=O)Nc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
RORC P51449 15/20 0.44
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37

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
SCHEMBL1082009 0.85 BRD4 (0.56) BRD4PIK3C3
SCHEMBL13306705 0.84 BRD4 (0.47) BRD4BRD9
SCHEMBL20414017 0.82 BRD4 (0.44) BRD4RORCMMP8MMP3
SCHEMBL17952435 0.81 BRD4 (0.45) BRD4RORCMMP8MMP3
SCHEMBL1046992 0.81 BRD4 (0.50) BRD4PIK3C3
SCHEMBL1962898 0.81 CYP2C19 (0.46) RORCMMP8MMP3PIK3C3
SCHEMBL15840003 0.79 RORC (0.44) RORC
SCHEMBL1042704 0.79 BRD4 (0.56) BRD4
SCHEMBL1082937 0.77 BRD4 (0.54) BRD4PIK3C3
SCHEMBL20414016 0.77 BRD4 (0.41) BRD4RORCMMP8MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 BRD4 1274/4885RORC 2191/4885MMP8 4370/4885

“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.