SCHEMBL20153146

SCHEMBL20153146

COc1ccc(CN2CCN(SC)C(C)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.48
RET P07949 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
HRH2 P25021 1/20 0.38
PDE9A O76083 3/20 0.38
PDE1C Q14123 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL20071085 0.84 TRPV6 (0.51) TRPV6RETJAK2JAK1JAK3
SCHEMBL22030570 0.82 TRPV6 (0.50) TRPV6RETJAK2JAK1JAK3
SCHEMBL20071090 0.81 TRPV6 (0.48) TRPV6RETJAK2JAK1JAK3
SCHEMBL23589171 0.78 TRPV6 (0.53) TRPV6JAK2JAK1JAK3HRH3
SCHEMBL14375256 0.75 TRPV6 (0.58) TRPV6JAK2JAK1JAK3HRH3
SCHEMBL18713082 0.74 TRPV6 (0.57) TRPV6JAK2JAK1JAK3HRH3
SCHEMBL18713087 0.74 TRPV6 (0.57) TRPV6RETJAK2JAK1JAK3
SCHEMBL20413614 0.73 TRPV6 (0.56) TRPV6RETJAK2JAK1JAK3
SCHEMBL23589183 0.73 HRH3 (0.67) TRPV6HRH3
SCHEMBL20353620 0.73 TRPV6 (0.53) TRPV6RETJAK2JAK1JAK3

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 2 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-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 1/4885JAK2 55/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TRPV6 4180/4885RET 1/4885JAK2 55/4885

“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.