SCHEMBL22856985

SCHEMBL22856985

CCN1CCC(Cc2ccccn2)(NC(=O)Cc2nccn2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.52
SIGMAR1 Q99720 2/20 0.39
POLB P06746 1/20 0.38
EGLN1 Q9GZT9 5/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36

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
SCHEMBL20069619 0.91 RET (0.52) RETSIGMAR1POLBEGLN1HTR1A
SCHEMBL25502427 0.87 RET (0.50) RETSIGMAR1EGLN1HTR1ADRD2
SCHEMBL20148104 0.85 RET (0.48) RETSIGMAR1POLBHTR1ADRD2
SCHEMBL20158631 0.81 RET (0.43) RETPOLBEGLN1
Trifluoroacetic Acid SCHEMBL20137644 0.80 RET (0.45) RETSIGMAR1EGLN1HTR1ADRD2
Trifluoroacetic Acid SCHEMBL29972118 0.80 RET (0.45) RETSIGMAR1EGLN1HTR1ADRD2
SCHEMBL25502453 0.78 RET (0.51) RETSIGMAR1POLBOPRM1
SCHEMBL25502483 0.77 RET (0.51) RETSIGMAR1POLBOPRM1
SCHEMBL20206009 0.73 RET (0.45) RETEGLN1
SCHEMBL25502420 0.72 RET (0.51) RETPOLBMEN1KMT2A

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 1/4885SIGMAR1 3807/4885POLB 3354/4885

“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.