SCHEMBL18136608

SCHEMBL18136608

Cc1ccc2ncn(C3CCCN(C)C3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ATM Q13315 1/20 0.38
PRMT5 O14744 2/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK1 P23458 3/20 0.37
JAK3 P52333 3/20 0.37
JAK2 O60674 1/20 0.37
FLT3 P36888 1/20 0.37
HTR6 P50406 2/20 0.37
TP53 P04637 1/20 0.37
MCHR1 Q99705 2/20 0.36

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
SCHEMBL15944159 0.92 DRD2 (0.45) DRD2SLC6A4OPRM1OPRL1PRMT5
SCHEMBL15944158 0.87 PRMT5 (0.40) DRD2SLC6A4GAAHSD17B10ATM
SCHEMBL17678351 0.86 GAA (0.47) DRD2SLC6A4GAAHSD17B10OPRM1
SCHEMBL18136684 0.86 GAA (0.50) DRD2SLC6A4GAAHSD17B10OPRM1
SCHEMBL18136617 0.85 TSHR (0.41) GAAHSD17B10ALDH1A1MEN1HPGD
SCHEMBL15344990 0.85 DRD2 (0.49) DRD2SLC6A4OPRM1OPRL1PRMT5
SCHEMBL18136723 0.84 GAA (0.52) GAAHSD17B10OPRM1OPRL1ATM
SCHEMBL18211617 0.83 ALDH1A1 (0.39) DRD2SLC6A4GAAHSD17B10OPRM1
SCHEMBL4743122 0.82 DRD2 (0.44) DRD2SLC6A4GAAHSD17B10OPRM1
SCHEMBL18136607 0.81 HPGD (0.43) GAAHSD17B10ALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
WO-2016164641-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-10-13 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-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP4K2, PLK1 DRD2 4445/4885SLC6A4 2188/4885GAA 2846/4885

“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.