SCHEMBL21652050

SCHEMBL21652050

CCN1CCC(C)(NC(=O)C2(C(F)(F)F)CCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
DGAT1 O75907 1/20 0.37
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
RIPK1 Q13546 1/20 0.32
CHRM1 P11229 1/20 0.31
HSD11B1 P28845 2/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
MMP1 P03956 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL20070363 0.84 DGAT1 (0.40) RETDGAT1MMP9MMP13MMP14
SCHEMBL20147527 0.80 DGAT1 (0.37) RETDGAT1MMP9MMP13MMP2
SCHEMBL25503104 0.75 DPP4 (0.35) RETMMP9MMP13MMP2MMP3
SCHEMBL16306650 0.73 DRD2 (0.46) MMP9MMP13HSD11B1MMP1OPRM1
SCHEMBL20147974 0.72 CYP2D6 (0.41) MMP9MMP13HSD11B1MMP1OPRM1
SCHEMBL20328214 0.69 DRD2 (0.39) RETOPRM1OPRD1OPRK1
SCHEMBL20206064 0.69 RET (0.40) RETMMP9MMP13MMP1OPRM1
SCHEMBL20148059 0.69 RET (0.42) RETMMP9MMP13MMP1OPRM1
SCHEMBL13897319 0.67 DGAT1 (0.52) DGAT1RIPK1
SCHEMBL25503721 0.66 LMNA (0.47) RETCHRM1

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 RET 1/4885DGAT1 4874/4885MMP9 4196/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885DGAT1 4874/4885MMP9 4196/4885

“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.