SCHEMBL20147417

SCHEMBL20147417

CC(C)N1CC(Oc2ccccc2C#N)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.43
PDE10A Q9Y233 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 1/20 0.38

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
SCHEMBL20152044 0.85 HRH3 (0.58) PDE9APDE10AHRH3
SCHEMBL2582495 0.83 PDE10A (0.44) PDE10APOLBGAASLC6A4
SCHEMBL20068827 0.78 SSTR4 (0.44) PDE9AHRH3SLC6A4
SCHEMBL23761235 0.77 EPHX2 (0.44) PDE10APOLBGAA
SCHEMBL30505244 0.77 EPHX2 (0.44) PDE10APOLBGAA
SCHEMBL20070185 0.76 HSD11B1 (0.48) SLC6A4
SCHEMBL25807458 0.76 SLC6A4 (0.47) HRH3SLC6A4
SCHEMBL20147891 0.76 PDE10A (0.39) PDE10APOLBGAA
Hydrochloric Acid SCHEMBL25401967 0.75 EPHX2 (0.44) PDE10APOLBGAA
SCHEMBL3130466 0.74 HRH3 (0.55) PDE10AHRH3MAPK1SMN1; SMN2

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-20180133207-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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 PDE9A 1154/4885PDE10A 929/4885HRH3 1000/4885

“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.