SCHEMBL3762938

SCHEMBL3762938

O=C(Nc1ccc(Nc2ncnc3[nH]ccc(=O)c23)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.60
▸ KDR P35968 10/20 0.59
▸ MAPK14 Q16539 4/20 0.59
▸ TNNI3K Q59H18 4/20 0.59
▸ BRAF P15056 3/20 0.59
▸ NTRK1 P04629 2/20 0.58
▸ NTRK2 Q16620 2/20 0.58
▸ NTRK3 Q16288 1/20 0.58
▸ AURKB Q96GD4 2/20 0.56
▸ CDK8 P49336 3/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CDK7 P50613 1/20 0.50
▸ CDK6 Q00534 1/20 0.50
▸ FLT1 P17948 3/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ TEK Q02763 2/20 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
SCHEMBL3765192 0.95 KDR (0.56) RETKDRMAPK14TNNI3KBRAF
SCHEMBL3760992 0.90 KDR (0.53) RETKDRMAPK14TNNI3KBRAF
SCHEMBL3762134 0.90 KDR (0.52) RETKDRMAPK14TNNI3KBRAF
SCHEMBL3761531 0.90 KDR (0.53) RETKDRMAPK14TNNI3KBRAF
SCHEMBL3763767 0.87 NTRK1 (0.51) RETKDRMAPK14TNNI3KBRAF
SCHEMBL3761347 0.86 CA12 (0.52) RETKDRMAPK14BRAFNTRK1
SCHEMBL3767943 0.86 FLT3 (0.53) RETKDRMAPK14TNNI3KBRAF
SCHEMBL3767827 0.84 CDK8 (0.50) RETKDRNTRK1NTRK2NTRK3
SCHEMBL3762266 0.83 KIT (0.62) RETKDRBRAFNTRK1NTRK2
SCHEMBL3768545 0.83 BRAF (0.51) KDRMAPK14TNNI3KBRAFNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809629-B1 N,N'-diphenyl urea derivatives suitable for the treatment of tumours, eye diseases, inflammation and diseases of the immune system MERCK PATENT GMBH (DE) 2012-06-13 — — EP claimed
US-7846927-B2 N,N′-diphenylurea derivatives suitable as kinase inhibitors MERCK PATENT GMBH (DE) 2010-12-07 — — US claimed
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 claimed
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 RET 4/4885KDR 6/4885MAPK14 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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