SCHEMBL20148660

SCHEMBL20148660

CC(C)c1csc(CN2C3CC2CN(C(C)(C)C)C3)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 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
SCHEMBL22030854 0.85 ALDH1A1 (0.44) RETALDH1A1GAAKMT2AMEN1
SCHEMBL20070790 0.84 ALDH1A1 (0.43) RETALDH1A1GAAKMT2AMEN1
SCHEMBL21159001 0.82 ALDH1A1 (0.42) RETALDH1A1GAAKMT2AMEN1
SCHEMBL20148668 0.81 RET (0.41) RET
SCHEMBL20148692 0.80 RET (0.42) RETALDH1A1RAB9ASMN1; SMN2SCN1A
SCHEMBL20148669 0.80 RET (0.42) RETSCN1ASCN8A
SCHEMBL20148691 0.68 RET (0.42) RETSMN1; SMN2
SCHEMBL20149605 0.68 RET (0.40) RETSCN1ASCN8A
SCHEMBL20148685 0.68 RET (0.39) RET
SCHEMBL20148695 0.68 RET (0.40) RETSCN8A

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
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885ALDH1A1 2868/4885GAA 3170/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885ALDH1A1 2868/4885GAA 3170/4885

“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.