SCHEMBL20158856

SCHEMBL20158856

CCN1CC2CC(C1)C2Nc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.42
RET P07949 1/20 0.38
GRM5 P41594 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CXCR4 P61073 1/20 0.35
CYP2C19 P33261 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
SCHEMBL20069027 0.84 NOS2 (0.39) NOS2RETGRM5GAAHTT
SCHEMBL25505245 0.82 ALDH1A1 (0.53) GAAHTTHRH3DRD2DRD3
SCHEMBL20147713 0.80 HRH3 (0.40) NOS2RETGRM5NPC1PKM
SCHEMBL20206002 0.77 RAB9A (0.36) NOS2RETGAAHTTMEN1
SCHEMBL5315582 0.74 NOS2 (0.64) NOS2HTTMEN1KMT2AHRH3
SCHEMBL30002855 0.73 ALDH1A1 (0.62) GAAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL30413253 0.72 NOS2 (0.52) NOS2HTTMEN1KMT2ASMN1; SMN2
SCHEMBL30608947 0.71 NOS2 (0.50) NOS2GAAHTTMEN1KMT2A
SCHEMBL24235274 0.68 DRD4 (0.42) HTTKMT2ASMN1; SMN2DRD2DRD4
SCHEMBL22856995 0.68 RET (0.46) RETHTTMEN1KMT2ANPC1

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 NOS2 3752/4885RET 1/4885GRM5 1363/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 NOS2 3752/4885RET 1/4885GRM5 1363/4885

“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.