SCHEMBL10183142

SCHEMBL10183142

CN1CCC(n2cnc3cnc(C(C)(C)C)cc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
EGFR P00533 5/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRMT5 O14744 2/20 0.35
PKM P14618 1/20 0.34
FLT3 P36888 2/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL10183626 0.90 EGFR (0.40) DRD2SLC6A4EGFROPRM1OPRL1
SCHEMBL10183124 0.87 EGFR (0.42) EGFROPRM1OPRL1LMNAGAA
SCHEMBL10183143 0.87 GAA (0.44) EGFRLMNAGAAHTTKMT2A
SCHEMBL10183230 0.86 GLRA3 (0.35) DRD2SLC6A4EGFRUSP2LMNA
SCHEMBL10183137 0.86 GAA (0.46) EGFROPRM1OPRL1LMNAGAA
SCHEMBL10183630 0.84 EGFR (0.45) EGFRGAAPRMT5FLT3HSD17B10
SCHEMBL10183640 0.82 DRD2 (0.43) DRD2SLC6A4EGFRLMNASMN1; SMN2
SCHEMBL10183158 0.82 DRD2 (0.43) DRD2SLC6A4EGFRLMNASMN1; SMN2
SCHEMBL10235443 0.78 DRD2 (0.46) DRD2SLC6A4EGFROPRM1OPRL1
SCHEMBL15943817 0.78 DRD2 (0.46) DRD2SLC6A4OPRM1OPRL1USP2

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 DRD2 4814/4885SLC6A4 4779/4885EGFR 397/4885

“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.