SCHEMBL2778276

SCHEMBL2778276

CNc1cc(Oc2ccc3c(c2)CCN3C(=O)O)ncn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.51
TNNI3K Q59H18 8/20 0.51
MAP2K7 O14733 5/20 0.47
RAF1 P04049 5/20 0.45
NOTUM Q6P988 1/20 0.44
MAPK14 Q16539 6/20 0.42
BRAF P15056 3/20 0.42

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
SCHEMBL2780386 0.94 KDR (0.49) KDRTNNI3KMAP2K7RAF1MAPK14
SCHEMBL2778534 0.93 KDR (0.48) KDRTNNI3KMAP2K7RAF1MAPK14
SCHEMBL2778309 0.89 KDR (0.44) KDRTNNI3KMAP2K7NOTUMMAPK14
SCHEMBL2796677 0.85 KDR (0.45) KDRNOTUM
SCHEMBL2779088 0.84 NOTUM (0.45) NOTUM
SCHEMBL2777587 0.83 NOTUM (0.44) KDRTNNI3KNOTUMMAPK14BRAF
SCHEMBL12972282 0.83 KDR (0.55) KDRTNNI3KMAP2K7RAF1MAPK14
SCHEMBL2708240 0.82 KDR (0.48) KDRTNNI3KMAP2K7RAF1
SCHEMBL2777729 0.82 SMN1; SMN2 (0.41) KDRMAP2K7NOTUM
SCHEMBL2777726 0.81 NOTUM (0.43) NOTUM

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 KDR 479/4885TNNI3K 270/4885MAP2K7 121/4885
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.