SCHEMBL12972418

SCHEMBL12972418

Nc1nc(Cl)cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.52
HTR2C P28335 6/20 0.48
HTR2A P28223 4/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
HTR2B P41595 4/20 0.46
CYP1A2 P05177 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAF1 P04049 1/20 0.44
CDK8 P49336 2/20 0.44
P2RY4 P51582 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL12972419 0.90 KDR (0.67) KDRHTR2CHTR2AMAPTTP53
SCHEMBL12972298 0.86 KDR (0.61) KDRHTR2CHTR2AMAPTHTR2B
SCHEMBL12972321 0.85 KDR (0.65) KDRHTR2CHTR2AHTR2BCYP1A2
SCHEMBL12972265 0.81 CDK2 (0.58) KDRRAF1CDK8
SCHEMBL12972249 0.81 KDR (0.58) KDRHTR2CHTR2AMAPTTP53
SCHEMBL2778875 0.79 MEN1 (0.50) KDRHTR2CHTR2AMAPTCYP1A2
SCHEMBL6072502 0.78 RAF1 (0.69) KDRHTR2CHTR2AHTR2BRAF1
SCHEMBL2434130 0.77 KDR (0.45) KDRCDK8
SCHEMBL2777281 0.77 AR (0.46) KDRHTR2CHTR2AHTR2BCYP1A2
SCHEMBL12972322 0.76 KDR (0.58) KDRHTR2CHTR2AHTR2BCYP1A2

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 479/4885HTR2C 1820/4885HTR2A 3518/4885

“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.