SCHEMBL2778751

SCHEMBL2778751

CNc1cc(Oc2ccc3c(c2)CCCN3)ncn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.44
TNNI3K Q59H18 7/20 0.44
MAP2K7 O14733 5/20 0.43
HRH3 Q9Y5N1 1/20 0.42
RAF1 P04049 6/20 0.41
MAPK14 Q16539 5/20 0.39
BRAF P15056 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2779716 0.93 KDR (0.46) KDRTNNI3KMAP2K7HRH3RAF1
SCHEMBL2777014 0.81 HRH3 (0.44) KDRTNNI3KHRH3MAPK14BRAF
SCHEMBL2435881 0.80 AURKA (0.45) KDRTNNI3KMAP2K7RAF1MAPK14
SCHEMBL2777158 0.74 DRD2 (0.43) HRH3CA12CA1CA2CA9
SCHEMBL2777149 0.74 HRH3 (0.41) KDRTNNI3KHRH3MAPK14BRAF
SCHEMBL10911483 0.72 HRH3 (0.59) HRH3CA12CA1CA2CA9
SCHEMBL2776946 0.72 HRH3 (0.44) KDRHRH3CA12CA1CA2
SCHEMBL2780386 0.71 KDR (0.49) KDRTNNI3KMAP2K7RAF1MAPK14
SCHEMBL3183202 0.71 HRH3 (0.48) HRH3CA12CA1CA2CA9
SCHEMBL2778534 0.70 KDR (0.48) KDRTNNI3KMAP2K7RAF1MAPK14

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 2 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF KDR 479/4885TNNI3K 270/4885MAP2K7 121/4885

“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.