SCHEMBL16246763

SCHEMBL16246763

Nc1nn(Cc2ccc(N3CCCC3)nc2)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 0.61
▸ AOC3 Q16853 2/20 0.46
▸ CACNA1H O95180 2/20 0.41
▸ BTK Q06187 1/20 0.41
▸ F11 P03951 1/20 0.41

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
SCHEMBL23747908 0.86 BTK (0.53) KLKB1BTK
SCHEMBL19471906 0.85 KLKB1 (0.56) KLKB1AOC3CACNA1H
SCHEMBL31339412 0.83 KLKB1 (0.63) KLKB1BTKF11
SCHEMBL16246724 0.83 KLKB1 (0.63) KLKB1BTKF11
SCHEMBL16246851 0.83 KLKB1 (0.60) KLKB1AOC3
SCHEMBL18725232 0.83 KLKB1 (0.47) KLKB1AOC3CACNA1HF11
SCHEMBL17786970 0.82 KLKB1 (0.59) KLKB1CACNA1HF11
SCHEMBL18725234 0.81 KLKB1 (0.46) KLKB1AOC3
SCHEMBL17786820 0.81 KLKB1 (0.53) KLKB1AOC3CACNA1HF11
SCHEMBL17785375 0.79 KLKB1 (0.58) KLKB1BTKF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105452240-B Hete rocyclic derivatives 卡尔维斯塔制药有限公司 2018-06-26 — — CN claimed
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
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
EP-3224255-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-05 — — EP disclosed
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-09-22 — — US disclosed
CN-105452240-B Hete rocyclic derivatives 卡尔维斯塔制药有限公司 2018-06-26 — — CN disclosed
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 — — EP disclosed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 — — US disclosed
US-9533987-B2 Heterocyclic derivates KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-01-03 — — US disclosed
WO-2016083818-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS 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 (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-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885AOC3 861/4885CACNA1H 4424/4885
US-20160108036-A1 HETEROCYCLIC DERIVATES BDKRB1, KLKB1, BDKRB2 KLKB1 2/4885AOC3 656/4885CACNA1H 4764/4885
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885AOC3 861/4885CACNA1H 4424/4885

“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.

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