SCHEMBL20148035

SCHEMBL20148035

COc1ccc(OC2CCN(SC)CC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 7/20 0.39
AVPR1A P37288 6/20 0.39
GPR119 Q8TDV5 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CHRM4 P08173 1/20 0.34
RET P07949 3/20 0.34
GLS O94925 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33

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
SCHEMBL20069575 0.81 HTR1D (0.47) HRH3CHRM4SMN1; SMN2HTR1DHTR1B
SCHEMBL20147424 0.77 HRH3 (0.52) HRH3
SCHEMBL5268383 0.75 GPR119 (0.47) GPR119HRH3GLS
SCHEMBL2772792 0.74 GPR119 (0.46) GPR119HRH3GLS
SCHEMBL21733092 0.74 RET (0.38) OXTRAVPR1AGPR119RETGLS
SCHEMBL24308695 0.73 HRH3 (0.53) HRH3RET
SCHEMBL20412703 0.73 HRH1 (0.47) HRH3SMN1; SMN2
SCHEMBL22857007 0.72 PDGFRB (0.36) OXTRAVPR1AGPR119HRH3CHRM4
SCHEMBL25071302 0.71 SMN1; SMN2 (0.53) HRH3SMN1; SMN2
SCHEMBL30986470 0.71 HRH3 (0.42) HRH3CHRM4SMN1; SMN2HTR1DHTR1B

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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
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 (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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 OXTR 3773/4885AVPR1A 1841/4885GPR119 1905/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 OXTR 3773/4885AVPR1A 1841/4885GPR119 1905/4885

“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.