SCHEMBL17785403

SCHEMBL17785403

COc1ccnc(C(N)=O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.46
OPRM1 P35372 1/20 0.44
APAF1 O14727 2/20 0.41
NSD2 O96028 2/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
NNMT P40261 2/20 0.38
DHODH Q02127 1/20 0.38
MAPK1 P28482 1/20 0.37
CSF1R P07333 1/20 0.37
TDP2 O95551 1/20 0.37
PPP1CA P62136 1/20 0.37
SAE1 Q9UBE0 1/20 0.37

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
SCHEMBL29659749 0.81 IKBKB (0.47) IKBKBAPAF1NSD2CASP3SENP8
SCHEMBL21855442 0.81 IKBKB (0.54) IKBKBAPAF1NSD2CASP3SENP8
SCHEMBL27339338 0.81 IKBKB (0.47) IKBKBAPAF1NSD2CASP3SENP8
SCHEMBL14308482 0.81 IKBKB (0.47) IKBKBAPAF1NSD2CASP3SENP8
Hydrochloric Acid SCHEMBL5008136 0.79 IKBKB (0.46) IKBKBAPAF1NSD2CASP3SENP8
SCHEMBL31726010 0.76 KDM4E (0.46) IKBKBL3MBTL1KDM4ENNMTMAPK1
SCHEMBL31208519 0.76 KDM4E (0.46) IKBKBL3MBTL1KDM4ENNMTMAPK1
SCHEMBL2696087 0.76 KDM4E (0.46) OPRM1L3MBTL1KDM4EASPHKDM8
SCHEMBL21976891 0.76 IKBKB (0.43) IKBKBAPAF1NSD2CASP3SENP8
SCHEMBL16508181 0.76 IKBKB (0.43) IKBKBAPAF1NSD2CASP3SENP8

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002275-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-06 US disclosed
EP-3556752-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-05 EP disclosed
US-11198691-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-12-14 US disclosed
US-11180484-B2 Pyrazole derivatives as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-11-23 US disclosed
CN-113387933-A Pyrazole derivatives as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2021-09-14 CN disclosed
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-08-10 US disclosed
CN-109311847-B Pyrazole derivatives as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2021-07-06 CN disclosed
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-05-11 US disclosed
EP-3760622-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2021-01-06 EP disclosed
EP-3567037-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2020-12-23 EP disclosed
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors DRI UK LP (KY) 2019-10-03 US disclosed
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-07-30 US disclosed
US-20190218205-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-07-18 US disclosed
EP-3224256-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS, KALVISTA PHARMACEUTICALS LTD (GB) 2019-07-03 EP disclosed
EP-3464271-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2019-04-10 EP disclosed
CN-109311847-A PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS 卡尔维斯塔制药有限公司 2019-02-05 CN disclosed
US-20180319782-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS DRI UK LP (KY) 2018-11-08 US disclosed
WO-2017207983-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-12-07 WO disclosed
EP-3224256-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS, Kalvista Pharmaceuticals Limited (GB) 2017-10-04 EP disclosed
WO-2016083820-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS, KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 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 (9 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-20180319782-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 IKBKB 708/4885OPRM1 1894/4885APAF1 1019/4885
US-11180484-B2 Pyrazole derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 IKBKB 1226/4885OPRM1 4164/4885APAF1 381/4885
US-20220002275-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 IKBKB 909/4885OPRM1 3455/4885APAF1 366/4885
US-20190218205-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 IKBKB 1226/4885OPRM1 4164/4885APAF1 381/4885
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 IKBKB 708/4885OPRM1 1894/4885APAF1 1019/4885
US-11198691-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 IKBKB 579/4885OPRM1 2030/4885APAF1 1124/4885
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 IKBKB 600/4885OPRM1 2055/4885APAF1 1075/4885
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 IKBKB 600/4885OPRM1 2055/4885APAF1 1075/4885
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 IKBKB 579/4885OPRM1 2030/4885APAF1 1124/4885

“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.