SCHEMBL20382010

SCHEMBL20382010

COC1CC(NC(=O)C2CCN(C(C)S)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NAAA Q02083 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ACKR3 P25106 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.34
RET P07949 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL20349548 0.89 HRH3 (0.50) EPHX2CYP2D6HRH3NAAAGAA
SCHEMBL18390139 0.81 GAA (0.40) EPHX2NAAAGAATSHRALDH1A1
SCHEMBL20965310 0.77 GAA (0.38) EPHX2NAAAGAATSHRALDH1A1
SCHEMBL20328130 0.77 SMN1; SMN2 (0.46) EPHX2NAAAGAATSHRALDH1A1
SCHEMBL20349560 0.76 SMN1; SMN2 (0.43) EPHX2CYP2D6HRH3GAATSHR
SCHEMBL18713061 0.74 HRH3 (0.47) EPHX2CYP2D6HRH3GAATSHR
SCHEMBL18390123 0.73 POLB (0.58) EPHX2TSHRALDH1A1LMNARET
SCHEMBL20353490 0.73 GAA (0.38) EPHX2NAAAGAATSHRALDH1A1
SCHEMBL25595643 0.72 HRH3 (0.43) HRH3TSHRALDH1A1
SCHEMBL21016656 0.71 HRH3 (0.34) HRH3

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 EPHX2 2061/4885CYP2D6 3133/4885HRH3 1340/4885

“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.