SCHEMBL4555014

SCHEMBL4555014

O=C(Nc1ccc(-c2nnn[nH]2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.64
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
TEK Q02763 2/20 0.53
BLM P54132 1/20 0.53
AURKB Q96GD4 1/20 0.53
TRPV1 Q8NER1 2/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
RAF1 P04049 2/20 0.52
BRAF P15056 2/20 0.52
RIPK1 Q13546 1/20 0.52
EPHB4 P54760 1/20 0.51
CDK8 P49336 1/20 0.50
PDGFRB P09619 1/20 0.50

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
SCHEMBL4554995 0.90 BRAF (0.61) KDRCA1CA2CA7CA9
SCHEMBL3577666 0.84 KDR (0.52) KDRTEKBLMTRPV1RAF1
SCHEMBL5950271 0.84 KDR (0.57) KDRCA1CA2CA7CA9
SCHEMBL1463047 0.84 KDR (0.57) KDRCA1CA2CA7CA9
SCHEMBL3581507 0.83 KDR (0.51) KDRCA1CA2CA7CA9
SCHEMBL3572047 0.83 KDR (0.51) KDRTEKBLMTRPV1RAF1
SCHEMBL1463280 0.83 KDR (0.56) KDRCA1CA2CA7CA9
SCHEMBL4642915 0.83 RAF1 (0.51) KDRAURKBTRPV1RAF1BRAF
SCHEMBL1463337 0.81 KDR (0.54) KDRCA1CA2CA7CA9
SCHEMBL3410987 0.81 RAF1 (0.72) KDRCA7CA9TEKAURKB

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 KDR 4697/4885CA1 4604/4885CA2 4787/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT KDR 4697/4885CA1 4604/4885CA2 4787/4885

“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.