SCHEMBL20206052

SCHEMBL20206052

CN(C)CC1(NC(=O)OCC(C)(C)C)CCN(SS)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
FSHR P23945 1/20 0.30

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
SCHEMBL20069723 0.84 RET (0.42) RETKMT2ATSHRFSHR
SCHEMBL21651959 0.82 RET (0.43) RETKMT2ATSHRFSHR
SCHEMBL20147517 0.81 RET (0.41) RETKMT2ATSHRFSHR
SCHEMBL20147918 0.73 RET (0.39) RET
SCHEMBL20069713 0.66 RET (0.42) RETTSHRFSHR
SCHEMBL22169754 0.65
SCHEMBL20147514 0.65 RET (0.42) RETTSHRFSHR
SCHEMBL20069722 0.65 RET (0.43) RET
SCHEMBL22856992 0.63 RORC (0.34) RETKMT2A
SCHEMBL4673408 0.62 RET (0.36) RETKMT2ATSHRFSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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 (1 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885KMT2A 1112/4885TSHR 1441/4885

“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.