SCHEMBL21958686

SCHEMBL21958686

CCc1ncc2c(ccn2C2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
SLC6A4 P31645 2/20 0.37
MAP3K5 Q99683 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
AOC3 Q16853 1/20 0.32
CYP17A1 P05093 1/20 0.31

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
SCHEMBL20674122 0.80 AOC3 (0.36) DRD2SLC6A4MAP3K5CYP11B1CYP11B2
SCHEMBL31162523 0.76 RPS6KA5 (0.36) DRD2SLC6A4MAP3K5CYP11B1CYP11B2
SCHEMBL23937774 0.70 ELANE (0.34) DRD2SLC6A4CYP11B1CYP11B2
SCHEMBL20673865 0.65 CHEK2 (0.35) CYP11B1CYP11B2CYP17A1
SCHEMBL20631767 0.64 MEN1 (0.35)
SCHEMBL23937881 0.64 PARP1 (0.37) DRD2SLC6A4MAP3K5
SCHEMBL21959623 0.64 PDE10A (0.32) DRD2SLC6A4CYP11B1CYP11B2
SCHEMBL20674571 0.64 MAP3K5 (0.37) DRD2SLC6A4MAP3K5OPRM1OPRD1
SCHEMBL1514912 0.60 CYP1A2 (0.42)
SCHEMBL30838793 0.60 CYP1A2 (0.42)

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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 DRD2 4236/4885SLC6A4 2138/4885MAP3K5 118/4885

“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.