SCHEMBL22654497

SCHEMBL22654497

Cc1n[nH]c(-c2ccccc2)c1C(=O)NC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.39
MAPKAPK2 P49137 4/20 0.39
CSNK2A2 P19784 1/20 0.39
AKT1 P31749 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
TP53 P04637 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RET P07949 4/20 0.38
AURKB Q96GD4 4/20 0.38
CLK4 Q9HAZ1 4/20 0.38
CHEK1 O14757 3/20 0.38
GSK3B P49841 3/20 0.38
RPS6KA3 P51812 3/20 0.38
LIMK1 P53667 3/20 0.38
PIM1 P11309 2/20 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
SCHEMBL22654500 0.83 RAB9A (0.39) TP53RAB9AKDM4EALDH1A1HPGD
SCHEMBL13615358 0.79 CHEK1 (0.46) TP53RAB9AKDM4EALDH1A1HPGD
SCHEMBL17784741 0.78 CHEK1 (0.43) TP53RAB9AKDM4EALDH1A1HPGD
SCHEMBL17784788 0.77 KDM4E (0.37) KDRMAPKAPK2CSNK2A2AKT1CSNK2B
SCHEMBL28849703 0.76 KMT2A (0.46) TP53RAB9AKDM4EALDH1A1HPGD
SCHEMBL19209480 0.71 PDE4D (0.59) TP53RAB9AKDM4EALDH1A1HPGD
SCHEMBL4711592 0.70 GAA (0.48) TP53KDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL4713038 0.70 TP53 (0.48) TP53RAB9APOLBMAPT
SCHEMBL4712235 0.69 LMNA (0.46) TP53GAA
SCHEMBL5782061 0.69 MEN1 (0.50) KDRCSNK2A1TP53RAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-08-10 US disclosed
US-20200361923-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors DRI UK LP (KY) 2020-11-19 US 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 (2 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-20200361923-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 KDR 1709/4885MAPKAPK2 3243/4885CSNK2A2 1310/4885
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KDR 1709/4885MAPKAPK2 3243/4885CSNK2A2 1310/4885

“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.