SCHEMBL13241069

SCHEMBL13241069

O=S(=O)(NC1CCSCC1)c1ccc(-c2ccnc3[nH]c(C(F)F)cc23)nc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.58
CHUK O15111 17/20 0.58
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.36
BRAF P15056 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL2990137 0.90 IKBKB (0.59) IKBKBCHUKCYP2C9ALDH1A1
SCHEMBL2977819 0.88 IKBKB (0.75) IKBKBCHUKCYP2C9ALDH1A1
SCHEMBL2977817 0.87 IKBKB (0.64) IKBKBCHUKCYP2C9ALDH1A1BRAF
SCHEMBL2994240 0.85 IKBKB (0.58) IKBKBCHUKCYP2C9ALDH1A1
Formic Acid SCHEMBL2981787 0.81 IKBKB (0.54) IKBKBCHUKCYP2C9BRAF
SCHEMBL2989601 0.80 IKBKB (0.61) IKBKBCHUKCYP2C9
SCHEMBL2985436 0.79 IKBKB (0.78) IKBKBCHUKCYP2C9ALDH1A1
SCHEMBL13241048 0.79 IKBKB (0.46) IKBKBCHUKKIT
SCHEMBL3412082 0.79 IKBKB (0.67) IKBKBCHUKCYP2C9
SCHEMBL2985434 0.78 IKBKB (0.66) IKBKBCHUKCYP2C9BRAF

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 disclosed
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.