SCHEMBL12879263

SCHEMBL12879263

OC1(c2ccc(-c3ncccn3)cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
CLK4 Q9HAZ1 1/20 0.39
ADRB2 P07550 1/20 0.39
SYK P43405 3/20 0.38
AVPR2 P30518 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP2A6 P11509 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
SCHEMBL14516443 0.83 HRH3 (0.41) HRH3CLK4ADRB2SYKAVPR2
SCHEMBL4327862 0.81 AVPR2 (0.37) CLK4ADRB2SYKAVPR2OXTR
SCHEMBL4344609 0.79 CLK4 (0.34) HRH3CLK4ADRB2SYKAVPR2
SCHEMBL24845287 0.78 DRD2 (0.43) HRH3SYKOPRM1OPRK1OPRL1
SCHEMBL6348944 0.77 SLC6A2 (0.55) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6344006 0.75 SLC6A2 (0.52) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL12879264 0.75 CLK4 (0.47) CLK4ADRB2AVPR2OXTRAVPR1A
SCHEMBL60129 0.72 OPRL1 (0.55) OPRM1OPRD1OPRK1OPRL1
SCHEMBL29195226 0.72 OPRL1 (0.55) OPRM1OPRD1OPRK1OPRL1
SCHEMBL1040024 0.72 OPRL1 (0.55) OPRM1OPRD1OPRK1OPRL1

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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 HRH3 3006/4885CLK4 917/4885ADRB2 3465/4885

“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.