SCHEMBL20381982

SCHEMBL20381982

COC(CNC(=O)C1CCN(C(C)S)CC1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
HSD17B10 Q99714 1/20 0.36
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 2/20 0.35
EPHX2 P34913 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL20970615 0.89 RET (0.40) RETHSD17B10MTNR1AMTNR1BSMN1; SMN2
SCHEMBL18390130 0.85 RET (0.42) RETHSD17B10MTNR1AMTNR1BSMN1; SMN2
SCHEMBL20965468 0.82 SMN1; SMN2 (0.44) RETHSD17B10MTNR1AMTNR1BSMN1; SMN2
SCHEMBL20349560 0.78 SMN1; SMN2 (0.43) HSD17B10SMN1; SMN2CYP3A4EPHX2KMT2A
SCHEMBL29897207 0.77 SMN1; SMN2 (0.47) RETMTNR1AMTNR1BSMN1; SMN2MAPK1
SCHEMBL20328027 0.74 MTNR1A (0.45) RETHSD17B10MTNR1AMTNR1BSMN1; SMN2
SCHEMBL21733032 0.72 GAA (0.45) RETSMN1; SMN2CYP3A4KMT2AALDH1A1
SCHEMBL18390142 0.70 MTNR1A (0.46) RETHSD17B10MTNR1AMTNR1BSMN1; SMN2
SCHEMBL18713073 0.69 RET (0.41) RETHSD17B10MTNR1AMTNR1BSMN1; SMN2
SCHEMBL20382010 0.69 EPHX2 (0.40) RETMAPK1EPHX2ALDH1A1TSHR

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-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 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 (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-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885HSD17B10 3963/4885MTNR1A 2865/4885

“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.