SCHEMBL12972419

SCHEMBL12972419

Nc1nccc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.67
CDK8 P49336 4/20 0.53
CDK1 P06493 1/20 0.53
CDK2 P24941 1/20 0.53
CCNC P24863 1/20 0.49
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
HTR2C P28335 6/20 0.49
HTR2A P28223 5/20 0.49
RAF1 P04049 1/20 0.49
HTR2B P41595 4/20 0.47
CYP1A2 P05177 3/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
BRAF P15056 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL12972321 0.95 KDR (0.65) KDRCDK8CDK1CDK2CCNC
SCHEMBL12972418 0.90 KDR (0.52) KDRCDK8HTR2CHTR2ARAF1
SCHEMBL12972308 0.86 KDR (0.49) KDRCDK8CDK1CDK2FLT1
SCHEMBL12972322 0.86 KDR (0.58) KDRCDK8CDK1CDK2FLT1
SCHEMBL12972303 0.85 KDR (0.61) KDRCDK8CDK1CDK2FLT1
SCHEMBL6072502 0.81 RAF1 (0.69) KDRCDK8CDK2CCNCFLT1
SCHEMBL12972320 0.81 KDR (0.49) KDRCDK8CDK1CDK2FLT1
SCHEMBL12972326 0.81 CDK8 (0.74) KDRCDK8CDK1CDK2CCNC
SCHEMBL12972314 0.80 KDR (0.59) KDRCDK8CDK1CDK2FLT1
SCHEMBL12972266 0.80 CDK8 (0.73) KDRCDK8CDK1CDK2CCNC

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 479/4885CDK8 173/4885CDK1 26/4885

“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.