SCHEMBL21159150

SCHEMBL21159150

CCC(C)N1CCC2(CCCN(C(C)=O)C2)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 15/20 0.57
CYP1A2 P05177 10/20 0.57
TSHR P16473 9/20 0.57
CYP3A4 P08684 14/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 1/20 0.47
USP2 O75604 6/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 5/20 0.43
CYP2C19 P33261 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20071144 0.85 CYP2D6 (0.63) CYP2D6CYP1A2TSHRCYP3A4HIF1A
SCHEMBL18713030 0.79 HRH3 (0.43) CYP2D6CYP1A2TSHRCYP3A4HIF1A
SCHEMBL20153203 0.79 RET (0.34) CYP2D6CYP1A2TSHRCYP3A4HIF1A
SCHEMBL25124519 0.78 CYP2D6 (0.31) CYP2D6CYP1A2TSHRCYP3A4USP2
SCHEMBL25551498 0.77 CYP2D6 (0.52) CYP2D6CYP1A2TSHRCYP3A4HIF1A
SCHEMBL20353665 0.76 KDM4E (0.37) CYP2D6CYP1A2TSHRCYP3A4HIF1A
SCHEMBL24688706 0.74 CYP3A4 (0.35) CYP2D6CYP1A2TSHRCYP3A4USP2
SCHEMBL19501245 0.74
SCHEMBL27281797 0.74
SCHEMBL27283006 0.74

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-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2D6 3706/4885CYP1A2 3812/4885TSHR 1461/4885

“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.