SCHEMBL10183000

SCHEMBL10183000

CCn1c(C(C)(C)C)cnc1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
RPS6KA5 O75582 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAD52 P43351 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10183093 0.78 KDM4E (0.33) HTTTDP1ALDH1A1LMNAALOX15
SCHEMBL10183096 0.76 CYP2C19 (0.31)
SCHEMBL10183005 0.72 CYP1A2 (0.42) CYP1A2CYP2D6MEN1MAPTKMT2A
SCHEMBL5172229 0.71
SCHEMBL10235408 0.71 CYP1A2 (0.36) CYP1A2CYP2D6HTTRPS6KA5TDP1
SCHEMBL21936667 0.71
SCHEMBL12852029 0.67 KDM4E (0.34) ALDH1A1ALOX15KDM4EMAPT
SCHEMBL21393806 0.67 NOS3 (0.40) CYP1A2CYP2D6HTTALDH1A1LMNA
SCHEMBL10183015 0.65 MEN1 (0.32) CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL24566102 0.63 ADORA2A (0.35) ADORA2AADORA2B

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 CYP1A2 2345/4885CYP2D6 2677/4885HTT 4150/4885

“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.