SCHEMBL20160375

SCHEMBL20160375

COc1ccc(C(=O)N2C3CC2CN(SC)C3)nn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.43
GABRA1 P14867 4/20 0.38
SCD5 Q86SK9 2/20 0.35
SCD O00767 1/20 0.34
BACE1 P56817 1/20 0.32
KCNK3 O14649 4/20 0.31
KCNK9 Q9NPC2 4/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
RET P07949 2/20 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
SCHEMBL22030882 0.85 NNMT (0.46) NNMTGABRA1SCD5SCDBACE1
SCHEMBL20154562 0.84 NNMT (0.45) NNMTGABRA1SCD5SCDBACE1
SCHEMBL20069574 0.82 NNMT (0.43) NNMTGABRA1SCD5SCDBACE1
SCHEMBL23126240 0.82 NNMT (0.43) NNMTGABRA1SCD5SCDKCNK3
SCHEMBL22030883 0.69 RET (0.44) RET
SCHEMBL20070594 0.69 CPS1 (0.48) RET
SCHEMBL20349517 0.69 NNMT (0.45) NNMTRET
SCHEMBL20153258 0.68 RET (0.43) RET
SCHEMBL20153179 0.68 RET (0.46) RET
SCHEMBL20070578 0.68 MGLL (0.45) KCNK3KCNK9RET

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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF NNMT 2639/4885GABRA1 2005/4885SCD5 4849/4885

“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.