SCHEMBL6770255

SCHEMBL6770255

Cc1cc2nc(-c3n[nH]c4c3CN(CC=O)CC4)[nH]c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 0.38
MAP3K8 P41279 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 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
SCHEMBL5953301 0.79 MAPK1 (0.54)
SCHEMBL6664934 0.78 CYP2C19 (0.37) ITKCYP2C19ALDH1A1TSHR
SCHEMBL5953522 0.77 MAPK3 (0.39) ITKMAP3K8TSHR
SCHEMBL5953529 0.76 ITK (0.42) ITK
SCHEMBL5952249 0.76 MAPK1 (0.41) ITK
SCHEMBL5953002 0.76 MAPK1 (0.41) ITK
SCHEMBL5952946 0.76 PIP5K1C (0.42) ITK
SCHEMBL5953090 0.76 MAPK1 (0.41) ITK
SCHEMBL5953516 0.76 MAPK3 (0.41) ITKCYP2C19
SCHEMBL5952126 0.76 BRD4 (0.43) ITK

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-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed

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-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ITK 1317/4885MAP3K8 40/4885CYP2C19 18/4885

“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.