SCHEMBL20158636

SCHEMBL20158636

COc1ncc(OC2CN(C(C)S)C2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.36
FFAR1 O14842 1/20 0.35
RET P07949 1/20 0.32
PDE9A O76083 3/20 0.32
HRH3 Q9Y5N1 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE2A O00408 1/20 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
SCHEMBL20069135 0.89 ACACB (0.38) ACACBFFAR1RETPDE9AHRH3
SCHEMBL25502912 0.88 HRH3 (0.42) HRH3
SCHEMBL22856983 0.81 OXTR (0.41) ACACB
SCHEMBL20152045 0.81 HRH3 (0.45) HRH3
SCHEMBL22857005 0.79 TLR7 (0.35) ACACBFFAR1RETPDGFRBPDGFRA
SCHEMBL22857039 0.78 RET (0.38) ACACBRETPDGFRBPDGFRA
SCHEMBL20147450 0.77 HRH3 (0.51) HRH3
SCHEMBL20205805 0.75 RET (0.35) ACACBFFAR1RETHRH3PDGFRB
SCHEMBL20158541 0.72 PIK3CD (0.40) HRH3
SCHEMBL20069143 0.72 OXTR (0.43) ACACB

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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180134703-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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 ACACB 4835/4885FFAR1 3257/4885RET 1/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 ACACB 4835/4885FFAR1 3257/4885RET 1/4885

“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.