SCHEMBL21736734

SCHEMBL21736734

CCOC(=O)c1cnn(Cc2cnc(N3CC4(CC4)C3)nc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
GRM2 Q14416 1/20 0.37
ENPP2 Q13822 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PROKR1 Q8TCW9 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL21736642 0.88 KLKB1 (0.44) KLKB1PROKR1HSD17B10
SCHEMBL22166231 0.87 KLKB1 (0.44) KLKB1
SCHEMBL23469581 0.84 KLKB1 (0.56) KLKB1POLBMAPTGRM2
SCHEMBL21713031 0.83 KLKB1 (0.45) KLKB1POLBMAPTGRM2PIK3CD
SCHEMBL31033242 0.83 KLKB1 (0.45) KLKB1POLBMAPTGRM2PIK3CD
SCHEMBL24918421 0.83 KLKB1 (0.43) KLKB1
SCHEMBL21736659 0.80 KLKB1 (0.41) KLKB1POLBMAPTNPC1RAB9A
SCHEMBL23469689 0.80 KLKB1 (0.57) KLKB1
SCHEMBL23768925 0.79 KLKB1 (0.48) KLKB1POLBGRM2ENPP2NPC1
SCHEMBL23769686 0.79 GRM2 (0.41) KLKB1GRM2ENPP2ALDH1A1

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
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
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
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO 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.