SCHEMBL21736732

SCHEMBL21736732

COC(=O)c1cn(Cc2cnc(N3CC4(CC4)C3)nc2C)nc1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.40
POLB P06746 3/20 0.33
MAPT P10636 3/20 0.33
NR1H2 P55055 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CRBN Q96SW2 1/20 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
SCHEMBL21736622 0.90 KLKB1 (0.48) KLKB1
SCHEMBL21736873 0.89 KLKB1 (0.36) KLKB1POLBNR1H2SMN1; SMN2KDM4E
SCHEMBL21736620 0.84 KLKB1 (0.47) KLKB1
SCHEMBL21736879 0.83 KLKB1 (0.46) KLKB1NR1H2
SCHEMBL21736621 0.83 KLKB1 (0.45) KLKB1
SCHEMBL21736629 0.82 KLKB1 (0.55) KLKB1
SCHEMBL21736734 0.77 KLKB1 (0.41) KLKB1POLBMAPTKDM4EALDH1A1
SCHEMBL21736642 0.76 KLKB1 (0.44) KLKB1NR1H2
SCHEMBL22166231 0.75 KLKB1 (0.44) KLKB1NR1H2
SCHEMBL24105413 0.73 KLKB1 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO 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 (3 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-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 KLKB1 1/4885POLB 4132/4885MAPT 2618/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885POLB 3970/4885MAPT 3454/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885POLB 3970/4885MAPT 3454/4885

“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.