SCHEMBL16246799

SCHEMBL16246799

O=C(O)c1cn(Cc2cnc(N3CCCC3)nc2)nc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.56
BTK Q06187 2/20 0.45
KLK1 P06870 1/20 0.43
DGAT1 O75907 1/20 0.41
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
F11 P03951 4/20 0.41
ATF1 P18846 1/20 0.39
NFKB1 P19838 1/20 0.39
F2 P00734 1/20 0.38

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
SCHEMBL18816715 0.85 BTK (0.59) KLKB1BTKDGAT1
SCHEMBL31339412 0.85 KLKB1 (0.63) KLKB1BTKKLK1F11
SCHEMBL16246724 0.85 KLKB1 (0.63) KLKB1BTKKLK1F11
SCHEMBL17786950 0.85 KLKB1 (0.52) KLKB1BTKKLK1DGAT1F11
SCHEMBL16246820 0.84 KLKB1 (0.60) KLKB1KLK1F11
SCHEMBL18795025 0.82 KLKB1 (0.45) KLKB1DGAT1
SCHEMBL17785375 0.81 KLKB1 (0.58) KLKB1BTKF11
SCHEMBL16246812 0.80 KLKB1 (0.64) KLKB1KLK1F11
SCHEMBL16246916 0.80 KLKB1 (0.57) KLKB1BTKKLK1F11
SCHEMBL28279024 0.79 KLKB1 (0.46) KLKB1LMNACASP1F11F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 EP claimed
EP-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 EP claimed
US-9533987-B2 Heterocyclic derivates KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-01-03 US claimed
WO-2016083816-A1 N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 WO claimed
US-20160108036-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-04-21 US claimed
EP-2999697-A1 HETEROCYCLIC DERIVATES Kalvista Pharmaceuticals Limited (GB) 2016-03-30 EP claimed
CN-105452240-A Heterocyclic derivates KALVISTA PHARMACEUTICALS LTD 2016-03-30 CN claimed
WO-2014188211-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-11-27 WO claimed
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 EP disclosed
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-08-10 US disclosed
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-05-11 US disclosed
US-20200361923-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors DRI UK LP (KY) 2020-11-19 US disclosed
US-10611758-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-04-07 US disclosed
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS DRI UK LP (KY) 2019-10-31 US disclosed
US-9533987-B2 Heterocyclic derivates KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-01-03 US disclosed
WO-2016083816-A1 N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 WO disclosed
US-20160108036-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-04-21 US disclosed
EP-2999697-A1 HETEROCYCLIC DERIVATES Kalvista Pharmaceuticals Limited (GB) 2016-03-30 EP disclosed
CN-105452240-A Heterocyclic derivates KALVISTA PHARMACEUTICALS LTD 2016-03-30 CN disclosed
WO-2014188211-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-11-27 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 (6 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-10611758-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885BTK 1229/4885KLK1 5/4885
US-20160108036-A1 HETEROCYCLIC DERIVATES BDKRB1, KLKB1, BDKRB2 KLKB1 2/4885BTK 958/4885KLK1 7/4885
US-20200361923-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885BTK 1229/4885KLK1 5/4885
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885BTK 1229/4885KLK1 5/4885
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885BTK 1071/4885KLK1 8/4885
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885BTK 1229/4885KLK1 5/4885

“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.