SCHEMBL20205754

SCHEMBL20205754

CC(C)C(C)C(=O)NC1(CN2CCOCC2)CCN(C(C)S)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.41
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.31
CTSS P25774 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL20147515 0.90 RET (0.42) RETALDH1A1TSHRMAPK1CTSS
SCHEMBL20069721 0.86 RET (0.42) RETALDH1A1TSHRCTSSSMN1; SMN2
SCHEMBL20148040 0.80 RET (0.41) RETALDH1A1SMN1; SMN2
SCHEMBL20206053 0.80 RET (0.41) RETALDH1A1TSHRSMN1; SMN2HRH3
SCHEMBL25503510 0.78 RET (0.45) RETALDH1A1SMN1; SMN2
SCHEMBL20147512 0.76 RET (0.42) RET
SCHEMBL20147519 0.73 RET (0.40) RETALDH1A1TSHRSMN1; SMN2HRH3
SCHEMBL20206054 0.73
SCHEMBL20147488 0.72 RET (0.42) RETALDH1A1CTSSSMN1; SMN2HRH3
SCHEMBL20069726 0.72 RET (0.42) 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 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 1/4885ALDH1A1 2547/4885TSHR 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.