SCHEMBL20154556

SCHEMBL20154556

COc1cnc(CN2C3CC2CN(C(C)S)C3)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.43
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
IDO1 P14902 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL20149607 0.91 RET (0.44) RETPDCD1CD274IDO1USP2
SCHEMBL20070780 0.84 RET (0.46) RETPDCD1CD274USP2ALDH1A1
SCHEMBL20148665 0.81 RET (0.47) RETPDCD1CD274USP2ALDH1A1
SCHEMBL20154575 0.76 RET (0.42) RET
SCHEMBL23555016 0.75 DBH (0.38) RET
SCHEMBL22030857 0.74 RET (0.33) RET
SCHEMBL20154565 0.70 RET (0.45) RET
SCHEMBL21158871 0.70 CYP11B1 (0.38) RET
SCHEMBL20149597 0.68 RET (0.43) RET
SCHEMBL20149630 0.68 RET (0.45) RETALDH1A1

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-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 1/4885PDCD1 1135/4885CD274 2514/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885PDCD1 1135/4885CD274 2514/4885

“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.