SCHEMBL20148006

SCHEMBL20148006

CC(S)N1CCC(NC(=O)c2cccc(Cl)n2)C(COCCN2CCOCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.37
CNR2 P34972 2/20 0.36
GRM4 Q14833 3/20 0.36
AVPR1B P47901 2/20 0.35
POLB P06746 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR4 Q13639 1/20 0.33
MCHR1 Q99705 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL20147667 0.94 RET (0.38) RETCNR2GRM4AVPR1BPOLB
SCHEMBL20068974 0.89 CNR2 (0.41) RETCNR2GRM4AVPR1BPOLB
SCHEMBL20147995 0.84 RET (0.38) RETCNR2GRM4POLBHRH3
SCHEMBL20147669 0.77 RET (0.39) RETGRM4POLBHRH3SMN1; SMN2
SCHEMBL20068975 0.72 SSTR4 (0.40) RETGRM4POLBSMN1; SMN2
SCHEMBL13267799 0.62 PRKAA2 (0.53) CNR2CHRNB2CHRNA7CHRNA4
SCHEMBL7944353 0.59 CNR2 (0.54) CNR2CHRNB2CHRNA7CHRNA4SMYD3
SCHEMBL8212053 0.58 PRKAA2 (0.51) CNR2CHRNB2CHRNA7CHRNA4SMYD3
SCHEMBL28386072 0.58 CTSA (0.54) POLBKDM4ETSHRSMN1; SMN2
SCHEMBL13741087 0.58 HRH3 (0.43) TSHRHRH3HTR4SMN1; SMN2

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 1/4885CNR2 4423/4885GRM4 1371/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885CNR2 4423/4885GRM4 1371/4885

“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.