SCHEMBL20154557

SCHEMBL20154557

COc1cncc(C(=O)N2C3CC2CN(S)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.46
MGLL Q99685 3/20 0.43
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
KLK7 P49862 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL22030880 0.88 MGLL (0.46) RETMGLLCHRNB4CHRNA3TDP1
SCHEMBL23555256 0.85 RET (0.44) RETMGLLCHRNB4CHRNA3TDP1
SCHEMBL20160469 0.85 RET (0.46) RETMGLLCHRNB4CHRNA3TDP1
SCHEMBL20148713 0.85 RET (0.42) RETMGLLCHRNB4CHRNA3TDP1
SCHEMBL20070526 0.83 MGLL (0.43) RETMGLLCHRNB4CHRNA3TDP1
SCHEMBL21159149 0.73 RET (0.47) RETMGLL
SCHEMBL22811914 0.72 RET (0.46) RETALDH1A1
SCHEMBL22030879 0.70 HCAR2 (0.46) RETCYP11B1CYP11B2ALDH1A1
SCHEMBL4187225 0.69 MKNK2 (0.49) TDP1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL20154562 0.68 NNMT (0.45) RET

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 1/4885MGLL 4881/4885CHRNB4 1708/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885MGLL 4881/4885CHRNB4 1708/4885

“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.