SCHEMBL21652010

SCHEMBL21652010

CCC(N)C(=O)NC1(C)CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.38
RET P07949 1/20 0.38
DPP4 P27487 5/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
ALDH1A1 P00352 2/20 0.31
FAP Q12884 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
USP2 O75604 1/20 0.31
HDAC2 Q92769 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
KCNH2 Q12809 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
SCHEMBL20069778 0.84 RET (0.36) CTSCRETDPP4DPP8DPP9
SCHEMBL18347937 0.78 CYP1A2 (0.34) RETKDM4E
SCHEMBL16509334 0.74 KDM4E (0.34) KDM4ESLC22A1SLC6A4ADRA1AOPRM1
SCHEMBL20069042 0.73 RET (0.34) RET
SCHEMBL13103020 0.71 DRD2 (0.40)
SCHEMBL17749033 0.71 OPRM1 (0.36) SLC22A1SLC6A4ADRA1AOPRM1OPRD1
SCHEMBL20069552 0.71 CTSK (0.49) RET
SCHEMBL20069513 0.70 OPRM1 (0.43) RETALDH1A1SLC22A1SLC6A4ADRA1A
SCHEMBL20069043 0.70 SMN1; SMN2 (0.42) RETDPP4ALDH1A1LMNA
SCHEMBL20205769 0.69 RET (0.33) RETOPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 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 (2 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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CTSC 3852/4885RET 1/4885DPP4 1963/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CTSC 3852/4885RET 1/4885DPP4 1963/4885

“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.