SCHEMBL21159009

SCHEMBL21159009

CCC(C)(C)N1CC2CC(C1)N2C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TSHR P16473 1/20 0.43
RET P07949 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL20152356 0.88 HPGD (0.54) HPGDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20071790 0.82 HPGD (0.58) HPGDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20148734 0.79 HPGD (0.54) HPGDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL23555144 0.77 HPGD (0.52) HPGDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL108058 0.73 HPGD (0.59) HPGDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6281941 0.69 HPGD (0.69) HPGDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL108225 0.68 ALDH1A1 (0.90) HPGDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20160507 0.68 RET (0.42) HPGDALDH1A1KMT2ATSHRRET
SCHEMBL18029393 0.68 ALDH1A1 (0.72) HPGDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL18026605 0.68 ALDH1A1 (0.67) HPGDALDH1A1CYP1A2CYP3A4CYP2D6

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 HPGD 3857/4885ALDH1A1 2868/4885CYP1A2 3812/4885

“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.