SCHEMBL12972276

SCHEMBL12972276

CC(C)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.67
BRAF P15056 15/20 0.67
MAPK14 Q16539 14/20 0.67
TNNI3K Q59H18 14/20 0.67
RIPK1 Q13546 1/20 0.52
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL12972391 0.90 KDR (0.66) KDRBRAFMAPK14TNNI3KRIPK1
SCHEMBL12972405 0.90 KDR (0.56) KDRBRAFMAPK14TNNI3KRIPK1
SCHEMBL12972259 0.87 KDR (0.62) KDRBRAFMAPK14TNNI3K
SCHEMBL11966512 0.87 KDR (0.57) KDRBRAFMAPK14TNNI3KRIPK1
SCHEMBL2778523 0.87 RIPK1 (0.54) KDRBRAFMAPK14TNNI3KRIPK1
SCHEMBL12972413 0.86 RIPK1 (0.52) KDRBRAFMAPK14TNNI3KRIPK1
SCHEMBL2777935 0.85 RIPK1 (0.53) KDRBRAFMAPK14TNNI3KRIPK1
SCHEMBL2778840 0.85 KDR (0.62) KDRBRAFMAPK14TNNI3KRIPK1
SCHEMBL11966503 0.85 KDR (0.66) KDRBRAFMAPK14TNNI3KRIPK1
SCHEMBL11966506 0.85 KDR (0.57) KDRBRAFMAPK14TNNI3KRIPK1

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 479/4885BRAF 3/4885MAPK14 428/4885

“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.