SCHEMBL22166206

SCHEMBL22166206

CCCC(=O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.46
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21736740 0.88 KLKB1 (0.48) KLKB1USP2ALDH1A1HPGDTSHR
SCHEMBL21736739 0.86 KLKB1 (0.46) KLKB1
SCHEMBL23768852 0.78 KLKB1 (0.45) KLKB1USP2ALDH1A1HPGDTSHR
SCHEMBL23754165 0.77 KLKB1 (0.47) KLKB1ALDH1A1HPGDTSHRHIF1A
SCHEMBL29906650 0.77 KLKB1 (0.47) KLKB1ALDH1A1HPGDTSHRHIF1A
SCHEMBL23769158 0.77 KLKB1 (0.45) KLKB1ALDH1A1
SCHEMBL23768889 0.77 KLKB1 (0.45) KLKB1
SCHEMBL31357725 0.77 KLKB1 (0.45) KLKB1ALDH1A1
SCHEMBL23753986 0.77 KLKB1 (0.45) KLKB1ALDH1A1
SCHEMBL23769179 0.77 KLKB1 (0.48) KLKB1

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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885USP2 2101/4885ALDH1A1 1415/4885

“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.