SCHEMBL2777587

SCHEMBL2777587

Nc1cc(Oc2ccc3c(c2)CCN3C(=O)O)ncn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
UCHL1 P09936 1/20 0.40
HSD17B10 Q99714 1/20 0.39
KDR P35968 4/20 0.39
BRAF P15056 1/20 0.39
MAPK14 Q16539 1/20 0.39
TNNI3K Q59H18 1/20 0.39
ROCK2 O75116 1/20 0.38
KMO O15229 1/20 0.38
OPRM1 P35372 4/20 0.37
OPRD1 P41143 4/20 0.37
OPRK1 P41145 3/20 0.37
RIPK1 Q13546 2/20 0.36
CHRM4 P08173 2/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL2777187 0.93 HSD17B10 (0.48) NOTUMUCHL1HSD17B10KDRBRAF
SCHEMBL2777261 0.92 HSD17B10 (0.45) NOTUMUCHL1HSD17B10KDRBRAF
SCHEMBL2779088 0.87 NOTUM (0.45) NOTUMUCHL1HSD17B10ROCK2KMO
SCHEMBL14351966 0.85 LOXL2 (0.47) NOTUMUCHL1HSD17B10ROCK2OPRM1
SCHEMBL2777726 0.84 NOTUM (0.43) NOTUMUCHL1HSD17B10ROCK2KMO
SCHEMBL2780399 0.84 NOTUM (0.43) NOTUMUCHL1HSD17B10KDRROCK2
SCHEMBL2778276 0.83 KDR (0.51) NOTUMKDRBRAFMAPK14TNNI3K
SCHEMBL14352204 0.82 NOTUM (0.41) NOTUMUCHL1HSD17B10ROCK2RIPK1
SCHEMBL2796677 0.81 KDR (0.45) NOTUMUCHL1KDR
SCHEMBL2706559 0.81 KDR (0.46) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 US 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 (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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF NOTUM 4066/4885UCHL1 944/4885HSD17B10 2798/4885
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA NOTUM 1797/4885UCHL1 178/4885HSD17B10 3272/4885

“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.