SCHEMBL20158857

SCHEMBL20158857

CN1CC2CC(C1)C2Nc1ncccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
KAT2B Q92831 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
SSTR4 P31391 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR6 P50406 1/20 0.31

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
SCHEMBL20147715 0.86 RET (0.39) RETALDH1A1GAANPC1RAB9A
SCHEMBL20068826 0.77 ALDH1A1 (0.58) KAT2BALDH1A1GAAHRH4HTT
SCHEMBL20069027 0.75 NOS2 (0.39) RETALDH1A1GAAHRH4NPC1
SCHEMBL29350072 0.70 GAA (0.46) ALDH1A1GAAHSD17B10OPRL1
SCHEMBL29544691 0.68 GAA (0.45) ALDH1A1GAAHSD17B10OPRL1
SCHEMBL20147957 0.67 GRM5 (0.53) RETALDH1A1GAANPC1RAB9A
SCHEMBL9909388 0.65
SCHEMBL21652042 0.65 MAPK1 (0.42) RETALDH1A1HTTHSD17B10MKNK1
SCHEMBL3606002 0.64 ALDH1A1 (0.46) ALDH1A1GAA
SCHEMBL30608214 0.64 CYP1A2 (0.50) RETALDH1A1GAAHSD17B10

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 RET 1/4885KAT2B 2808/4885ALDH1A1 2547/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885KAT2B 2808/4885ALDH1A1 2547/4885

“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.