SCHEMBL20154582

SCHEMBL20154582

CN1CC2CC(C1)N2C(=O)C(CN)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.47
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CACNA1B Q00975 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL20069729 0.89 RET (0.46) RETALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20069727 0.88 RET (0.44) RETALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20069728 0.85 RET (0.48) RETALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20153142 0.84 RET (0.41) RETALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL22030851 0.83 RET (0.44) RETALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL22030859 0.81 RET (0.43) RETALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL22030850 0.78 RET (0.46) RETALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL21159093 0.77 CHRM1 (0.52) ALDH1A1CHRM1CACNA1B
SCHEMBL22030577 0.76 RET (0.47) RETALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20152348 0.73 RET (0.45) RETALDH1A1CYP1A2CYP3A4CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523301-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-05-27 EP disclosed
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180133213-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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885ALDH1A1 2868/4885CYP1A2 3812/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885ALDH1A1 2868/4885CYP1A2 3812/4885

“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.