SCHEMBL22857068

SCHEMBL22857068

CC(C)CNC(=O)C1(CNC2CCOCC2)CCN(S)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.33
CCR2 P41597 4/20 0.33
EPHX1 P07099 1/20 0.33
PRKD1 Q15139 1/20 0.32
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.30
CTSD P07339 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 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
SCHEMBL20070279 0.89 RET (0.45) RETSMN1; SMN2CCR2EPHX1PRKD1
SCHEMBL20148003 0.88 RET (0.44) RETSMN1; SMN2CCR2EPHX1
SCHEMBL21652056 0.86 RET (0.43) RETSMN1; SMN2CCR2EPHX1
SCHEMBL20158747 0.86 RET (0.43) RETSMN1; SMN2CCR2EPHX1CTSD
SCHEMBL20069782 0.68 RET (0.42) RETSMN1; SMN2CYP2C19MAPTTSHR
SCHEMBL10232878 0.67 PIK3CD (0.42) EPHX1
SCHEMBL21652001 0.67 RET (0.42) RETSMN1; SMN2MAPTTSHR
SCHEMBL20069765 0.64 CYP2C19 (0.44) RETSMN1; SMN2EPHX1CYP2C19
SCHEMBL5330574 0.63 CYP2D6 (0.39) EPHX1HPGDCYP2C19CTSDMAPT
SCHEMBL20069487 0.63 RET (0.48) RETSMN1; SMN2HPGDMAPTTSHR

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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-01-05 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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885SMN1; SMN2 646/4885CCR2 2191/4885

“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.