SCHEMBL20153178

SCHEMBL20153178

CCCCC(C)N1CCC2(CCCNC2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.48
ALDH1A1 P00352 9/20 0.48
CYP2D6 P10635 8/20 0.48
USP2 O75604 5/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 3/20 0.40
CYP1A2 P05177 5/20 0.39
HSD17B10 Q99714 5/20 0.38
MAPK1 P28482 3/20 0.36
CYP2C19 P33261 3/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 3/20 0.35
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL21158710 0.96 CYP2D6 (0.47) CYP3A4ALDH1A1CYP2D6USP2CYP2C9
SCHEMBL23555260 0.95 CYP3A4 (0.46) CYP3A4ALDH1A1CYP2D6USP2CYP2C9
SCHEMBL20153221 0.85 CYP2D6 (0.47) CYP3A4ALDH1A1CYP2D6USP2CYP2C9
SCHEMBL18976299 0.84 CYP3A4 (0.37) CYP3A4ALDH1A1CYP2D6USP2CYP2C9
SCHEMBL21216976 0.82 TSHR (0.37) CYP3A4CYP2D6USP2CYP2C9TSHR
SCHEMBL20153166 0.81 TSHR (0.33) TSHRHSD17B10
SCHEMBL23555134 0.80 CYP3A4 (0.45) CYP3A4ALDH1A1CYP2D6USP2CYP2C9
SCHEMBL18482094 0.79 CYP3A4 (0.57) CYP3A4ALDH1A1CYP2D6USP2CYP2C9
SCHEMBL20970852 0.77 HTR1A (0.35) SIGMAR1
SCHEMBL13284032 0.76 TSHR (0.54) CYP3A4ALDH1A1CYP2D6USP2CYP2C9

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-20210186959-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2021-06-24 US disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP3A4 3158/4885ALDH1A1 2868/4885CYP2D6 3706/4885
US-20210186959-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP3A4 3158/4885ALDH1A1 2868/4885CYP2D6 3706/4885

“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.