SCHEMBL21736627

SCHEMBL21736627

Cc1nc(N2CC3C(C2)C3(F)F)ncc1Cn1cc(C(=O)O)c2cncnc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.66
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
RBP4 P02753 1/20 0.34
CFD P00746 1/20 0.32
MAPK1 P28482 1/20 0.32
ENPP2 Q13822 2/20 0.31

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
SCHEMBL31741491 1.00 KLKB1 (0.66) KLKB1LMNACASP1RBP4CFD
SCHEMBL21736634 0.91 KLKB1 (0.65) KLKB1CFD
SCHEMBL26310264 0.88 KLKB1 (0.65) KLKB1LMNACASP1RBP4CFD
SCHEMBL31741488 0.88 KLKB1 (0.65) KLKB1LMNACASP1RBP4CFD
SCHEMBL21736641 0.88 KLKB1 (0.65) KLKB1LMNACASP1RBP4CFD
SCHEMBL21736623 0.88 KLKB1 (0.66) KLKB1CFD
SCHEMBL31741497 0.88 KLKB1 (0.66) KLKB1CFD
SCHEMBL21712915 0.84 KLKB1 (0.49) KLKB1LMNACASP1MAPK1ENPP2
SCHEMBL31033186 0.84 KLKB1 (0.49) KLKB1LMNACASP1MAPK1ENPP2
SCHEMBL24918784 0.84 KLKB1 (0.52) KLKB1LMNACASP1RBP4MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 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 (4 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885LMNA 2081/4885CASP1 573/4885
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 KLKB1 1/4885LMNA 2145/4885CASP1 601/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885LMNA 1430/4885CASP1 293/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885LMNA 2081/4885CASP1 573/4885

“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.