SCHEMBL12972308

SCHEMBL12972308

Nc1nccc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccnc(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
CDK8 P49336 1/20 0.47
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
HTR2C P28335 14/20 0.45
HTR2A P28223 12/20 0.45
HTR2B P41595 11/20 0.45
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 1/20 0.41
HTR6 P50406 1/20 0.41
RIPK1 Q13546 1/20 0.40

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
SCHEMBL12972303 0.88 KDR (0.61) KDRCDK1CDK2CDK8FLT1
SCHEMBL12972419 0.86 KDR (0.67) KDRCDK1CDK2CDK8FLT1
SCHEMBL12972320 0.83 KDR (0.49) KDRCDK1CDK2CDK8FLT1
SCHEMBL12972314 0.83 KDR (0.59) KDRCDK1CDK2CDK8FLT1
SCHEMBL12972322 0.82 KDR (0.58) KDRCDK1CDK2CDK8FLT1
SCHEMBL12972255 0.82 KDR (0.58) KDRCDK1CDK2CDK8FLT1
SCHEMBL12972321 0.82 KDR (0.65) KDRCDK1CDK2CDK8FLT1
SCHEMBL2781030 0.80 NOTUM (0.43) KDRCDK1CDK2CDK8FLT1
SCHEMBL12972326 0.77 CDK8 (0.74) KDRCDK1CDK2CDK8FLT1
SCHEMBL12972266 0.77 CDK8 (0.73) KDRCDK1CDK2CDK8FLT1

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 4 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-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
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 479/4885CDK1 26/4885CDK2 17/4885

“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.