SCHEMBL4554995

SCHEMBL4554995

O=C(Nc1cccc(-c2nnn[nH]2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.61
RAF1 P04049 2/20 0.61
KDR P35968 3/20 0.60
EPHB4 P54760 1/20 0.56
TRPV1 Q8NER1 7/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
BLM P54132 1/20 0.50
AURKB Q96GD4 1/20 0.50
RIPK1 Q13546 1/20 0.49
CDK8 P49336 1/20 0.49

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
SCHEMBL4555014 0.90 KDR (0.64) BRAFRAF1KDREPHB4TRPV1
SCHEMBL4642915 0.88 RAF1 (0.51) BRAFRAF1KDREPHB4TRPV1
SCHEMBL22167182 0.84 MGLL (0.54) RAF1AURKBCDK8
SCHEMBL1463047 0.81 KDR (0.57) KDRTRPV1CA1CA2CA7
SCHEMBL5950271 0.81 KDR (0.57) KDRTRPV1CA1CA2CA7
SCHEMBL1463280 0.81 KDR (0.56) KDRTRPV1CA1CA2CA7
SCHEMBL19677976 0.80 KDR (0.88) KDRTRPV1CA1CA2CA7
SCHEMBL3577666 0.79 KDR (0.52) BRAFRAF1KDREPHB4TRPV1
SCHEMBL5453206 0.79 KDR (0.62) BRAFRAF1KDRCA1CA2
SCHEMBL1463337 0.79 KDR (0.54) KDRTRPV1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT BRAF 3879/4885RAF1 4564/4885KDR 4697/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT BRAF 3879/4885RAF1 4564/4885KDR 4697/4885

“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.