Formic Acid

Formic Acid

SCHEMBL2989360

O=CO.O=S(=O)(NCCO)c1ccc(-c2ccnc3[nH]c(C4CCCNC4)cc23)s1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
CYP2C9 P11712 1/20 0.52
CCNT1 O60563 17/20 0.49
CDK9 P50750 17/20 0.49
MAP3K5 Q99683 1/20 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
SCHEMBL2993759 0.97 IKBKB (0.55) IKBKBCHUKCYP2C9CCNT1CDK9
SCHEMBL2990002 0.89 MAP3K5 (0.63) IKBKBCHUKCYP2C9CCNT1CDK9
SCHEMBL2992991 0.86 IKBKB (0.68) IKBKBCHUKCYP2C9CCNT1CDK9
Formic Acid SCHEMBL2985060 0.83 IKBKB (0.49) IKBKBCHUKCCNT1CDK9
SCHEMBL13241041 0.83 CCNT1 (0.57) CCNT1CDK9
SCHEMBL2990331 0.81 CCNT1 (0.49) IKBKBCHUKCCNT1CDK9
SCHEMBL2990332 0.80 IKBKB (0.57) IKBKBCHUKCCNT1CDK9
SCHEMBL2994638 0.79 CCNT1 (0.48) IKBKBCHUKCCNT1CDK9
SCHEMBL2994635 0.78 IKBKB (0.52) IKBKBCHUKCCNT1CDK9
SCHEMBL2985661 0.78 MAP3K5 (0.72) IKBKBCHUKCYP2C9CCNT1CDK9

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 1 patent. 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 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 IKBKB 11/4885CHUK 22/4885CYP2C9 1488/4885

“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.