SCHEMBL3767003

SCHEMBL3767003

CN1CCC(Oc2ccc(C(F)(F)F)cc2NC(=O)Nc2ccc(Nc3ncnc4[nH]ccc(=O)c34)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.42
▸ RAF1 P04049 2/20 0.42
▸ ARAF P10398 2/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ KDR P35968 7/20 0.41
▸ MAPK14 Q16539 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ MAP3K14 Q99558 1/20 0.39
▸ EGFR P00533 5/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ HSP90AA1 P07900 3/20 0.37
▸ HSP90AB1 P08238 3/20 0.37

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
SCHEMBL3767915 0.91 BRAF (0.43) BRAFRAF1ARAFKDR
SCHEMBL9903598 0.82 BRAF (0.52) BRAFRAF1ARAFKDRMAPK14
SCHEMBL3768545 0.78 BRAF (0.51) BRAFRAF1KDRMAPK14
SCHEMBL3760992 0.78 KDR (0.53) BRAFKDRMAPK14
SCHEMBL5165492 0.74 CHEK1 (0.59) BRAFCHEK1KDRMAPK14LCK
SCHEMBL9902789 0.74 EPHX2 (0.54) BRAFRAF1KDRLCKSRC
SCHEMBL3761347 0.73 CA12 (0.52) BRAFKDRMAPK14LCKSRC
SCHEMBL2333691 0.69 KDR (0.47) BRAFKDRMAPK14LCKSRC
SCHEMBL2333081 0.69 ALDH1A1 (0.48) BRAFKDRMAPK14
SCHEMBL3762938 0.68 RET (0.60) BRAFKDRMAPK14LCKSYK

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 BRAF 10/4885RAF1 12/4885ARAF 13/4885

“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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