SCHEMBL2776079

SCHEMBL2776079

Nc1nccc(Oc2ccc3c(c2)CCCN3C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
KDR P35968 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PDK1 Q15118 4/20 0.40
PDK2 Q15119 4/20 0.40
PDK3 Q15120 4/20 0.40
PDK4 Q16654 4/20 0.40
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
CDK8 P49336 1/20 0.39
ESR1 P03372 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
ADRA1A P35348 1/20 0.39
ROCK1 Q13464 3/20 0.39
TUBB4A P04350 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
SCHEMBL2777217 0.97 HSD17B10 (0.44) HSD17B10KDRCA1CA2CA9
SCHEMBL2781030 0.93 NOTUM (0.43) HSD17B10KDRCDK1CDK2CDK8
SCHEMBL2780087 0.82 KMT2A (0.47) HSD17B10KDRCA1CA2CA9
SCHEMBL2777187 0.81 HSD17B10 (0.48) HSD17B10KDRCA1CA2CA9
SCHEMBL12972320 0.81 KDR (0.49) HSD17B10KDRCDK1CDK2CDK8
SCHEMBL2707692 0.80 KDR (0.51) KDR
SCHEMBL12972314 0.79 KDR (0.59) KDRCDK1CDK2CDK8
SCHEMBL12972322 0.79 KDR (0.58) KDRCDK1CDK2CDK8
SCHEMBL2777261 0.78 HSD17B10 (0.45) HSD17B10KDRCA1CA2CA9
SCHEMBL12972321 0.78 KDR (0.65) KDRCDK1CDK2CDK8

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 HSD17B10 2798/4885KDR 479/4885CA1 1364/4885

“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.