SCHEMBL16260552

SCHEMBL16260552

Cc1ccc(Cn2cc(C#N)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.50
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
ALDH1A1 P00352 1/20 0.42
CYP2A6 P11509 1/20 0.42
KLKB1 P03952 1/20 0.41
CREBBP Q92793 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL948967 0.84 ACACB (0.42) ALDH1A1KLKB1NPC1RAB9AKDR
SCHEMBL19087155 0.84 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2KLKB1TAS2R8
SCHEMBL2629800 0.83 L3MBTL1 (0.57) CYP19A1CYP11B1CYP11B2CREBBPACACB
SCHEMBL15123353 0.83 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2ALDH1A1NPC1
SCHEMBL17693908 0.83 CACNA1H (0.46) CYP19A1CYP11B1CYP11B2CREBBPACACB
SCHEMBL15759268 0.79 KLKB1 (0.51) ALDH1A1KLKB1NPC1RAB9AKDR
SCHEMBL19077891 0.75 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2KLKB1ACACB
SCHEMBL17685589 0.75 KLKB1 (0.42) CYP19A1CYP11B1CYP11B2KLKB1LMNA
SCHEMBL18802962 0.75 LMNA (0.54) ALDH1A1KLKB1CREBBPNPC1RAB9A
SCHEMBL3593783 0.75 MAPT (0.68) ALDH1A1KLKB1NPC1RAB9AKDR

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-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 EP disclosed
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 EP disclosed
EP-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 EP disclosed
US-20160108036-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-04-21 US 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 (1 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-20160108036-A1 HETEROCYCLIC DERIVATES BDKRB1, KLKB1, BDKRB2 CYP19A1 129/4885CYP11B1 194/4885CYP11B2 238/4885

“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.