SCHEMBL10184841

SCHEMBL10184841

NCc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 2/20 0.59
RAB9A P51151 1/20 0.59
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA7 P43166 4/20 0.58
CA9 Q16790 4/20 0.58
NPSR1 Q6W5P4 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
PTGDR2 Q9Y5Y4 2/20 0.57
GRM4 Q14833 1/20 0.55
PDK1 Q15118 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
XBP1 P17861 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL3977997 0.85 KDR (0.64) KDRMAPTLMNAGAARAB9A
SCHEMBL11793308 0.85 KDR (0.68) KDRMAPTLMNAGAARAB9A
SCHEMBL3973967 0.84 KDR (0.66) KDRMAPTLMNAGAARAB9A
SCHEMBL6055167 0.82 LMNA (0.70) KDRMAPTLMNAGAARAB9A
SCHEMBL13988583 0.82 PTGDR2 (0.57) KDRMAPTLMNAGAARAB9A
SCHEMBL27682667 0.81 BRAF (0.56) KDRMAPTLMNAGAARAB9A
SCHEMBL28389908 0.81 KDR (0.61) KDRMAPTLMNAGAARAB9A
SCHEMBL4249329 0.80 RAB9A (0.71) KDRMAPTLMNAGAARAB9A
SCHEMBL9500892 0.79 MAPT (0.54) KDRMAPTLMNAGAARAB9A
SCHEMBL10233619 0.79 CA1 (0.57) KDRMAPTLMNAGAARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 WO 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KDR 929/4885MAPT 4105/4885LMNA 3593/4885

“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.