SCHEMBL3761531

SCHEMBL3761531

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1Nc1ncnc2[nH]ccc(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.53
▸ BRAF P15056 2/20 0.52
▸ MAPK14 Q16539 2/20 0.52
▸ TNNI3K Q59H18 2/20 0.52
▸ RET P07949 1/20 0.51
▸ GRIK1 P39086 2/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ NTRK1 P04629 1/20 0.47
▸ NTRK3 Q16288 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47
▸ CDK8 P49336 2/20 0.47

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
SCHEMBL3765192 0.91 KDR (0.56) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3762938 0.90 RET (0.60) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3762134 0.87 KDR (0.52) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3760992 0.85 KDR (0.53) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3761347 0.80 CA12 (0.52) KDRBRAFMAPK14RETEGFR
SCHEMBL3763767 0.77 NTRK1 (0.51) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3768545 0.77 BRAF (0.51) KDRBRAFMAPK14TNNI3KNTRK1
SCHEMBL3762349 0.77 FLT3 (0.49) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL3767943 0.76 FLT3 (0.53) KDRBRAFMAPK14TNNI3KRET
SCHEMBL17664319 0.76 KMT2A (0.82) KDRGRIK1MEN1MAPTHTT

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-7846927-B2 N,N′-diphenylurea derivatives suitable as kinase inhibitors MERCK PATENT GMBH (DE) 2010-12-07 — — US disclosed
US-20070293488-A1 tyrosine kinase inhibitors such as 1-(2-fluoro-5-trifluoromethylphenyl)-3-[4-(5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-4-ylamino)phenyl]urea, used as antitumor or anticarcinogenic agents or for the treatment of psoriasis, arthritis, retinopathy or dermatitis MERCK PATENT GMBH (DE) 2007-12-20 — — 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 (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-20070293488-A1 tyrosine kinase inhibitors such as 1-(2-fluoro-5-trifluoromethylphenyl)-3-[4-(5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-4-ylamino)phenyl]urea, used as antitumor or anticarcinogenic agents or for the treatment of psoriasis, arthritis, retinopathy or dermatitis TIE1, FLT1, FER KDR 6/4885BRAF 10/4885MAPK14 287/4885

“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.

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