SCHEMBL2778523

SCHEMBL2778523

O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2cc(Oc3cc(Cl)ncn3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
KDR P35968 16/20 0.52
MAPK14 Q16539 9/20 0.51
TNNI3K Q59H18 9/20 0.51
BRAF P15056 9/20 0.51
HTR2B P41595 2/20 0.51
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47

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
SCHEMBL12972254 0.94 KDR (0.50) RIPK1HTR2AHTR2CKDRMAPK14
SCHEMBL2777935 0.90 RIPK1 (0.53) RIPK1HTR2AHTR2CKDRMAPK14
SCHEMBL12972410 0.89 RIPK1 (0.51) RIPK1HTR2AHTR2CKDRMAPK14
SCHEMBL12972405 0.89 KDR (0.56) RIPK1HTR2AHTR2CKDRMAPK14
SCHEMBL12972413 0.89 RIPK1 (0.52) RIPK1HTR2AHTR2CKDRMAPK14
SCHEMBL11966506 0.89 KDR (0.57) RIPK1HTR2AHTR2CKDRMAPK14
SCHEMBL11966503 0.89 KDR (0.66) RIPK1HTR2AHTR2CKDRMAPK14
SCHEMBL12972391 0.88 KDR (0.66) RIPK1HTR2AHTR2CKDRMAPK14
SCHEMBL12972276 0.87 KDR (0.67) RIPK1HTR2AHTR2CKDRMAPK14
SCHEMBL11966504 0.87 KDR (0.68) RIPK1HTR2AHTR2CKDRMAPK14

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 RIPK1 792/4885HTR2A 3518/4885HTR2C 1820/4885

“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.