SCHEMBL20147995

SCHEMBL20147995

CC(S)N1CCC(NC(=O)c2ncccc2Cl)C(COCCN2CCOCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.38
GRM4 Q14833 2/20 0.37
POLB P06746 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20147669 0.94 RET (0.39) RETGRM4POLBHRH3NFE2L2
SCHEMBL20068975 0.89 SSTR4 (0.40) RETGRM4POLBNFE2L2ALDH1A1
SCHEMBL20148006 0.84 RET (0.37) RETGRM4POLBHRH3CNR2
SCHEMBL20147667 0.77 RET (0.38) RETGRM4POLBHRH3CNR2
SCHEMBL20147997 0.77 RET (0.44) RETCNR1CNR2MEN1KMT2A
SCHEMBL20068974 0.72 CNR2 (0.41) RETGRM4POLBCNR2SMN1; SMN2
SCHEMBL20147671 0.69 RET (0.46) RETHRH3MEN1KMT2A
SCHEMBL20147664 0.69 RET (0.45) RETHRH3CNR1MEN1KMT2A
SCHEMBL20147666 0.69 RET (0.47) RETHRH3MAPT
SCHEMBL31058418 0.68 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 RET 1/4885GRM4 1371/4885POLB 3354/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885GRM4 1371/4885POLB 3354/4885

“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.