SCHEMBL20328229

SCHEMBL20328229

CCN1CCC2(CCCN(C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 16/20 0.46
▸ CYP2D6 P10635 14/20 0.46
▸ CYP1A2 P05177 8/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ USP2 O75604 4/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 9/20 0.43
▸ SCD5 Q86SK9 1/20 0.43
▸ GLA P06280 1/20 0.41
▸ RORC P51449 1/20 0.41

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
SCHEMBL20962658 0.95 SCD5 (0.46) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL20382070 0.93 CYP11B2 (0.43) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL20965473 0.93 SCD5 (0.48) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL17946542 0.87 SCD5 (0.45) CYP2D6USP2SCD5RORC
SCHEMBL31425405 0.87 CYP3A4 (0.45) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL23551919 0.86 RORC (0.48) USP2SCD5RORC
SCHEMBL15871707 0.86 USP2 (0.45) CYP2D6USP2ALDH1A1TSHRSCD5
SCHEMBL23763011 0.84 CYP2D6 (0.50) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL25052826 0.82 HPGD (0.46) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL14240265 0.82 HPGD (0.46) CYP3A4CYP2D6CYP1A2CYP2C9USP2

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-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 — — US disclosed
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-06-28 — — 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-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CYP3A4 2929/4885CYP2D6 3133/4885CYP1A2 3702/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP3A4 2929/4885CYP2D6 3133/4885CYP1A2 3702/4885

“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.

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