SCHEMBL2990331

SCHEMBL2990331

O=S(=O)(NC1CCS(O)(O)CC1)c1ccc(-c2ccnc3[nH]c(C4CCCNC4)cc23)s1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 16/20 0.49
CDK9 P50750 16/20 0.49
IKBKB O14920 2/20 0.49
CHUK O15111 2/20 0.49

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
SCHEMBL2994638 0.95 CCNT1 (0.48) CCNT1CDK9IKBKBCHUK
SCHEMBL2990332 0.93 IKBKB (0.57) CCNT1CDK9IKBKBCHUK
SCHEMBL2994253 0.90 IKBKB (0.58) CCNT1CDK9IKBKBCHUK
SCHEMBL2994635 0.90 IKBKB (0.52) CCNT1CDK9IKBKBCHUK
Formic Acid SCHEMBL2985060 0.88 IKBKB (0.49) CCNT1CDK9IKBKBCHUK
SCHEMBL2993759 0.83 IKBKB (0.55) CCNT1CDK9IKBKBCHUK
SCHEMBL13241041 0.83 CCNT1 (0.57) CCNT1CDK9
SCHEMBL2985528 0.82 MAP3K5 (0.59) IKBKBCHUK
SCHEMBL2994254 0.82 IKBKB (0.69) CCNT1CDK9IKBKBCHUK
SCHEMBL2988217 0.82 IKBKB (0.57) CCNT1CDK9IKBKBCHUK

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 2 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
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 CCNT1 1704/4885CDK9 242/4885IKBKB 11/4885

“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.