Sugi Predict

Sugi Predict / Compounds / SCHEMBL20070968

SCHEMBL20070968

SCHEMBL20070968

CC(C)N1CCN(C(=O)C(O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.56
▸ HRH3 Q9Y5N1 2/20 0.52
▸ ROCK2 O75116 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ GPX4 P36969 6/20 0.48
▸ CHRM1 P11229 2/20 0.48
▸ PANK3 Q9H999 1/20 0.44
▸ SLC6A9 P48067 1/20 0.44
▸ CNR1 P21554 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
SCHEMBL18704996 0.86 CHRM1 (0.49) CHRNA7HRH3CHRM1PANK3
SCHEMBL20148582 0.85 HRH3 (0.52) HRH3CHRM1PANK3
SCHEMBL21159094 0.84 POLB (0.57) HRH3ROCK2CYP3A4GPX4CHRM1
SCHEMBL18390264 0.84 CHRM1 (0.65) HRH3ROCK2CYP3A4CHRM1
SCHEMBL18704995 0.83 ROCK2 (0.53) CHRNA7HRH3ROCK2CYP3A4CHRM1
SCHEMBL20154465 0.81 ROCK2 (0.50) CHRNA7ROCK2CYP3A4GPX4PANK3
SCHEMBL20412809 0.81 CHRNA7 (0.52) CHRNA7HRH3GPX4CHRM1SLC6A9
SCHEMBL22811884 0.81 ALDH1A1 (0.54) ROCK2CYP3A4GPX4CHRM1SLC6A9
SCHEMBL27559784 0.78 CYP2D6 (0.51) ROCK2CYP3A4GPX4PANK3
SCHEMBL18390269 0.77 ROCK2 (0.50) CHRNA7HRH3ROCK2CYP3A4CHRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 — — US disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 — — US disclosed
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 — — US disclosed
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 — — US disclosed
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 — — US disclosed
WO-2018071447-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 — — WO 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 (4 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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRNA7 2601/4885HRH3 1148/4885ROCK2 581/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRNA7 2601/4885HRH3 1148/4885ROCK2 581/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRNA7 2601/4885HRH3 1148/4885ROCK2 581/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRNA7 2601/4885HRH3 1148/4885ROCK2 581/4885

“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.