SCHEMBL2990101

SCHEMBL2990101

C[C@H](O)CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)s1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.53
IKBKB O14920 4/20 0.53
CHUK O15111 4/20 0.53
CYP2C9 P11712 1/20 0.52
CIT O14578 1/20 0.45
CDK9 P50750 14/20 0.43
CASP3 P42574 10/20 0.43
CASP7 P55210 10/20 0.43
CCNT1 O60563 4/20 0.43
CDK1 P06493 3/20 0.41
CDK2 P24941 3/20 0.41
GSK3B P49841 3/20 0.41
CDK7 P50613 3/20 0.41
CDK12 Q9NYV4 3/20 0.41

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
SCHEMBL2990774 1.00 MAP3K5 (0.53) MAP3K5IKBKBCHUKCYP2C9CIT
SCHEMBL2988005 0.90 IKBKB (0.53) MAP3K5IKBKBCHUKCYP2C9CIT
SCHEMBL2992991 0.87 IKBKB (0.68) MAP3K5IKBKBCHUKCYP2C9CIT
SCHEMBL2991038 0.85 MAP3K5 (0.71) MAP3K5IKBKBCHUKCIT
SCHEMBL2977496 0.85 MAP3K5 (0.71) MAP3K5IKBKBCHUKCIT
SCHEMBL2982135 0.85 IKBKB (0.70) MAP3K5IKBKBCHUKCYP2C9CIT
SCHEMBL2990237 0.85 IKBKB (0.69) MAP3K5IKBKBCHUKCYP2C9CIT
SCHEMBL2991897 0.85 IKBKB (0.70) MAP3K5IKBKBCHUKCYP2C9CIT
SCHEMBL2985661 0.84 MAP3K5 (0.72) MAP3K5IKBKBCHUKCYP2C9CIT
SCHEMBL2993164 0.82 MAP3K5 (0.54) MAP3K5IKBKBCHUKCIT

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
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US claimed
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP claimed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO claimed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 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 (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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 MAP3K5 7/4885IKBKB 11/4885CHUK 22/4885

“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.