SCHEMBL3177337

SCHEMBL3177337

CNc1cc(Oc2ccc(N)cc2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.58
TNNI3K Q59H18 9/20 0.58
MAP2K7 O14733 5/20 0.56
MAPK14 Q16539 7/20 0.49
BRAF P15056 4/20 0.49
NUDT1 P36639 1/20 0.48
RAF1 P04049 4/20 0.47
CYP2C19 P33261 1/20 0.46

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
SCHEMBL22592313 0.85 KDR (0.67) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL3183099 0.83 KDR (0.51) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL14540942 0.81 KDR (0.56) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL12664956 0.80 SCN9A (0.52) KDRTNNI3KMAP2K7CYP2C19
SCHEMBL3182550 0.80 MEN1 (0.66) TNNI3KRAF1CYP2C19
SCHEMBL3171765 0.79 RAF1 (0.57) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL1896051 0.79 MEN1 (0.55) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL4931460 0.79 KDR (0.73) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL4912985 0.78 KDR (0.59) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL4795754 0.78 SMN1; SMN2 (0.48) KDRTNNI3KMAPK14BRAFCYP2C19

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
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 US disclosed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP disclosed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 WO 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-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA KDR 3898/4885TNNI3K 340/4885MAP2K7 818/4885

“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.