SCHEMBL18705176

SCHEMBL18705176

CC(C)N1CCCC2(CCN(C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.50
CYP1A2 P05177 7/20 0.50
CYP2D6 P10635 6/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 4/20 0.44
CYP2C19 P33261 4/20 0.44
HIF1A Q16665 1/20 0.44
SCD5 Q86SK9 1/20 0.43
CYP11B2 P19099 1/20 0.42
USP2 O75604 6/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ACACB O00763 4/20 0.42
CYP3A4 P08684 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
GPR183 P32249 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL18705174 0.95 CYP1A2 (0.50) CYP2C9CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL18705178 0.93 CYP2C9 (0.48) CYP2C9CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL18705162 0.93 SCD5 (0.46) CYP2C9CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL18705163 0.89 CYP1A2 (0.46) CYP2C9CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL18705168 0.89 CYP11B2 (0.46) CYP2C9CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL18705183 0.88 CYP1A2 (0.48) CYP2C9CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL18375131 0.87 USP2 (0.46) CYP2C9CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL18374882 0.86 CYP11B2 (0.48) CYP2C9CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL3332085 0.86 USP2 (0.45) CYP2C9CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL12890163 0.84 HRH3 (0.43) CYP2C9CYP1A2CYP2D6ALDH1A1TSHR

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 7 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-20190127375-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-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

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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2C9 3533/4885CYP1A2 3702/4885CYP2D6 3133/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CYP2C9 4078/4885CYP1A2 3675/4885CYP2D6 3470/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2C9 3533/4885CYP1A2 3702/4885CYP2D6 3133/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2C9 3533/4885CYP1A2 3702/4885CYP2D6 3133/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2C9 3533/4885CYP1A2 3702/4885CYP2D6 3133/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2C9 3533/4885CYP1A2 3702/4885CYP2D6 3133/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CYP2C9 3533/4885CYP1A2 3702/4885CYP2D6 3133/4885

“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.