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SCHEMBL18705155

SCHEMBL18705155

CCC(CC)C(=O)N1CC2(CCN(C(C)C)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ CYP2C19 P33261 4/20 0.37
▸ CYP2D6 P10635 7/20 0.35
▸ CYP1A2 P05177 6/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 6/20 0.35
▸ LMNA P02545 1/20 0.34
▸ RET P07949 1/20 0.34
▸ CYP3A4 P08684 4/20 0.33
▸ USP2 O75604 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL20353662 0.88 EPHX2 (0.39) HRH3EPHX2CYP2C19CYP2D6CYP1A2
SCHEMBL18389851 0.83 CYP2C19 (0.42) EPHX2CYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL18390601 0.83 HRH3 (0.46) HRH3CYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL20349497 0.82 EPHX2 (0.41) EPHX2CYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL22699049 0.81 EPHX2 (0.39) EPHX2CYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL23553273 0.80 ALDH1A1 (0.46) HRH3EPHX2CYP2C19CYP2D6CYP1A2
SCHEMBL18195124 0.79 CYP2C19 (0.50) HRH3CYP2C19CYP2D6ALDH1A1LMNA
SCHEMBL18705157 0.79 HRH3 (0.43) HRH3CYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL18705156 0.78 CYP2D6 (0.48) HRH3CYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL20353665 0.77 KDM4E (0.37) HRH3CYP2C19CYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 — — US disclosed
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 — — US disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 — — US disclosed
US-20190127374-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 — — US disclosed
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 — — US disclosed
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 — — US disclosed
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 — — US disclosed
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-06-28 — — US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 — — US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 — — 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 (9 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HRH3 1469/4885EPHX2 2422/4885CYP2C19 3688/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885EPHX2 2061/4885CYP2C19 3137/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HRH3 1469/4885EPHX2 2422/4885CYP2C19 3688/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885EPHX2 2061/4885CYP2C19 3137/4885
US-20190127374-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885EPHX2 2061/4885CYP2C19 3137/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885EPHX2 2061/4885CYP2C19 3137/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885EPHX2 2061/4885CYP2C19 3137/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 HRH3 1487/4885EPHX2 2338/4885CYP2C19 3635/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885EPHX2 2061/4885CYP2C19 3137/4885

“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.