SCHEMBL10183124

SCHEMBL10183124

CC(C)(C)c1cc2c(cn1)ncn2C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 6/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 6/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
HCAR1 Q9BXC0 2/20 0.38
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
PRKCA P17252 1/20 0.36
JAK1 P23458 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
OPRM1 P35372 1/20 0.35

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
SCHEMBL10183143 0.97 GAA (0.44) EGFRGAAHSD17B10ALDH1A1TP53
SCHEMBL10183137 0.96 GAA (0.46) EGFRGAAHSD17B10ALDH1A1TP53
SCHEMBL10183626 0.94 EGFR (0.40) EGFRGAAHSD17B10ALDH1A1TP53
SCHEMBL10183630 0.87 EGFR (0.45) EGFRGAAHSD17B10ALDH1A1HCAR1
SCHEMBL10183142 0.87 DRD2 (0.40) EGFRGAAHSD17B10JAK1KMT2A
SCHEMBL10183230 0.84 GLRA3 (0.35) EGFRGAALMNAHTT
SCHEMBL10183263 0.81 GLRA3 (0.41) EGFRGAAHSD17B10ALDH1A1TP53
SCHEMBL10183159 0.81 JAK1 (0.35) EGFRJAK2JAK1JAK3
SCHEMBL10183244 0.81 IDO1 (0.35) EGFRALDH1A1HPGDMEN1KMT2A
SCHEMBL10183158 0.80 DRD2 (0.43) EGFRALDH1A1HPGDJAK2JAK1

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 EGFR 397/4885GAA 1958/4885HSD17B10 1308/4885

“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.