SCHEMBL1046992

SCHEMBL1046992

CCNC(=O)Nc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
DHODH Q02127 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
NAMPT P43490 5/20 0.37
CYP2C9 P11712 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
HTR6 P50406 2/20 0.36
MAPKAPK2 P49137 1/20 0.36

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 0.86 BRD4 (0.56) BRD4LMNAPIK3C3HTR6
SCHEMBL1046989 0.81 BRD4 (0.49) BRD4PIK3C3
SCHEMBL1042704 0.80 BRD4 (0.56) BRD4PIK3CAPOLBHTR6
SCHEMBL19787914 0.77 BRD4 (0.58) BRD4LMNAHTR6
SCHEMBL1082937 0.76 BRD4 (0.54) BRD4ALDH1A1LMNAGAAPIK3C3
SCHEMBL1050312 0.76 BRD4 (0.64) BRD4L3MBTL1LMNAPOLBGAA
SCHEMBL2179100 0.76 BRD4 (0.54) BRD4CYP2C9ALDH1A1LMNAPIK3C3
SCHEMBL1772637 0.75 BRAF (0.64)
SCHEMBL1047355 0.74 CDC7 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGNAMPT
SCHEMBL1799967 0.73 BRD4 (0.67) BRD4PIK3CDPIK3CAPIK3CBPIK3CG

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 3 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
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 1274/4885DHODH 1321/4885PIK3CD 351/4885

“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.