SCHEMBL18705159

SCHEMBL18705159

CC(C)C(O)C(=O)N1CCC2(CCN(C(C)C)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
RET P07949 1/20 0.35
CYP2C9 P11712 5/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2D6 P10635 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 6/20 0.33
TSHR P16473 3/20 0.33
USP2 O75604 3/20 0.33
CYP2C19 P33261 2/20 0.33
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 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
SCHEMBL18705157 0.92 HRH3 (0.43) HRH3RETCYP2C9CYP1A2CYP2D6
SCHEMBL18390373 0.85 USP2 (0.40) HRH3RETCYP2C9CYP1A2CYP2D6
SCHEMBL18705160 0.85 HRH3 (0.44) HRH3RETCYP2C9CYP1A2CYP2D6
SCHEMBL18705154 0.85 HRH3 (0.47) HRH3CYP2C9CYP1A2CYP2D6ALDH1A1
SCHEMBL20328791 0.82 HRH3 (0.34) HRH3RETCYP2C9CYP1A2CYP2D6
SCHEMBL21739822 0.80 HRH3 (0.48) HRH3CYP2C9CYP1A2CYP2D6ALDH1A1
SCHEMBL17176168 0.78 PIK3R1 (0.38) RETCYP3A4TSHRCYP2C19PIK3R1
SCHEMBL17176115 0.78 PIK3R1 (0.38) RETCYP3A4TSHRCYP2C19PIK3R1
SCHEMBL18390377 0.77 USP2 (0.52) RETCYP2C9CYP1A2CYP2D6ALDH1A1
SCHEMBL18390379 0.77 ALDH1A1 (0.44) HRH3RETCYP2C9CYP1A2CYP2D6

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-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed
US-10174027-B2 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 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-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 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-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 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-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 (7 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-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885RET 1/4885CYP2C9 3533/4885
US-10174027-B2 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885RET 1/4885CYP2C9 3533/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885RET 1/4885CYP2C9 3533/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885RET 1/4885CYP2C9 3533/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885RET 1/4885CYP2C9 3533/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885RET 1/4885CYP2C9 3533/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885RET 1/4885CYP2C9 3533/4885

“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.