SCHEMBL16246739

SCHEMBL16246739

C#Cc1cc(C#N)c(C)nc1NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
MAPK8 P45983 4/20 0.40
HTT P42858 1/20 0.40
MAPK9 P45984 3/20 0.39
ALDH1A1 P00352 5/20 0.38
PKM P14618 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
GAA P10253 2/20 0.37
AR P10275 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL17221745 0.82 KDM4E (0.50) KDM4ESMN1; SMN2HPGDPOLBMAPK8
SCHEMBL26751281 0.72 ALDH1A1 (0.44) KDM4ESMN1; SMN2MAPK8HTTMAPK9
SCHEMBL17151395 0.71 SMN1; SMN2 (0.40) KDM4ESMN1; SMN2MAPK8MAPK9ALDH1A1
SCHEMBL16246778 0.70 KDM4E (0.46) KDM4ESMN1; SMN2HPGDPOLBMAPK8
SCHEMBL2011637 0.69 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL1579862 0.68 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2MAPK8MAPK9ALDH1A1
SCHEMBL11485888 0.67 KDM4E (0.78) KDM4ESMN1; SMN2HPGDPOLBHTT
SCHEMBL1641286 0.66 SMN1; SMN2 (0.69) KDM4ESMN1; SMN2HPGDPOLBHTT
SCHEMBL30908352 0.66 KDM4E (0.52) KDM4ESMN1; SMN2HPGDALDH1A1PKM
SCHEMBL9753629 0.65 ALDH1A1 (0.44) KDM4ESMN1; SMN2HPGDALDH1A1

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 7 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-9533987-B2 Heterocyclic derivates KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-01-03 US 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
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 KDM4E 1167/4885SMN1; SMN2 2799/4885HPGD 169/4885

“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.