SCHEMBL20148632

SCHEMBL20148632

COc1ccc(CN2CC3CCC(C2)N3C(C)(C)C)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.56
RET P07949 4/20 0.44
PDE9A O76083 3/20 0.43
PDE1C Q14123 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
PRKAA2 P54646 2/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP11B1 P15538 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL20148630 0.92 TRPV6 (0.47) TRPV6RETPDE9APDE1CSIGMAR1
SCHEMBL20154573 0.85 TRPV6 (0.56) TRPV6RETPDE9APDE1CSIGMAR1
SCHEMBL20070533 0.82 TRPV6 (0.53) TRPV6RETPDE9APDE1CSIGMAR1
SCHEMBL31459048 0.80 GPR119 (0.48) TRPV6RETPDE9APDE1CPRKAA2
SCHEMBL28669882 0.80 GPR119 (0.48) TRPV6RETPDE9APDE1CPRKAA2
SCHEMBL20070739 0.80 TRPV6 (0.50) TRPV6RETPDE9APDE1CSIGMAR1
SCHEMBL20148631 0.80 TRPV6 (0.47) TRPV6RETSIGMAR1CYP11B1
SCHEMBL20160367 0.78 TRPV6 (0.48) TRPV6RETPDE9APDE1CSIGMAR1
SCHEMBL25221782 0.78 TRPV6 (0.54) TRPV6RETSIGMAR1KDM1AMAOA
SCHEMBL29535730 0.78 TRPV6 (0.54) TRPV6RETSIGMAR1KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
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 (2 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 TRPV6 4180/4885RET 1/4885PDE9A 791/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TRPV6 4180/4885RET 1/4885PDE9A 791/4885

“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.