SCHEMBL20205812

SCHEMBL20205812

O=C(NC1(Cc2ccccn2)CCN(S)CC1)C(O)CO

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.49
CYP46A1 Q9Y6A2 3/20 0.40
PTPRA P18433 1/20 0.39
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL20069459 0.89 RET (0.51) RETCYP46A1PTPRALMNAGAA
SCHEMBL20069464 0.87 RET (0.49) RETCYP46A1PTPRAALDH1A1SMN1; SMN2
SCHEMBL25502483 0.87 RET (0.51) RETCYP46A1PTPRALMNAGAA
SCHEMBL21651944 0.82 RET (0.44) RETCYP46A1ALDH1A1
SCHEMBL20069623 0.79 RET (0.49) RETCYP46A1GAAHSD11B1KDM4E
SCHEMBL20147912 0.76 RET (0.50) RETCYP46A1GAAHSD11B1KDM4E
SCHEMBL22857003 0.74 RET (0.49) RETCYP46A1PTPRAALDH1A1SMN1; SMN2
SCHEMBL20069617 0.74 RET (0.53) RETLMNAHSD11B1KDM4EALDH1A1
SCHEMBL20158570 0.74 RET (0.50) RETCYP46A1ALDH1A1SMN1; SMN2
SCHEMBL20158569 0.74 RET (0.51) RETCYP46A1PTPRAALDH1A1SMN1; SMN2

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 1/4885CYP46A1 4055/4885PTPRA 419/4885

“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.