SCHEMBL10183057

SCHEMBL10183057

CC(C)(C)c1cnn2cc(-c3ccnc(Cl)c3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 3/20 0.37
IDO1 P14902 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
AAK1 Q2M2I8 3/20 0.34
METAP2 P50579 1/20 0.34
AR P10275 1/20 0.33
KDR P35968 2/20 0.33
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
KMT2A Q03164 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL10182971 0.84 JAK1 (0.40) BMP4IDO1AAK1KDRJAK1
SCHEMBL10182966 0.82 ACVR2A (0.47) BMP4JAK1JAK3
SCHEMBL10183055 0.80 KIF11 (0.44) BMP4KDR
SCHEMBL10235403 0.79 JAK1 (0.37) BMP4IDO1CCNCCDK8METAP2
SCHEMBL10183085 0.75 ALOX5AP (0.40)
SCHEMBL10182972 0.75 PIK3CG (0.37) BMP4KDRJAK1JAK3
SCHEMBL10183063 0.74 KIT (0.32) PTGS2
SCHEMBL10182956 0.74 JAK1 (0.38) BMP4KDRJAK1JAK3
SCHEMBL10182958 0.74 KIF11 (0.50) KDRJAK1JAK3
SCHEMBL10182940 0.72 JAK1 (0.38) JAK1JAK3

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 1 patent. 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

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 BMP4 4644/4885IDO1 3440/4885CCNC 685/4885

“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.