SCHEMBL10168674

SCHEMBL10168674

CC(C)N1CCCC2(CCN(C)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.41
TSHR P16473 9/20 0.41
CYP2D6 P10635 8/20 0.41
CYP1A2 P05177 5/20 0.41
USP2 O75604 5/20 0.40
CYP2C19 P33261 5/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPK1 P28482 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
SCHEMBL18705142 0.92 USP2 (0.44) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL14768453 0.90 USP2 (0.38) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL10094137 0.90 CYP3A4 (0.34) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL14768708 0.89 USP2 (0.44) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL12832228 0.88 USP2 (0.35) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL10111450 0.88 CYP2D6 (0.39) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL14524120 0.88 HRH3 (0.36) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL25903495 0.84 CYP3A4 (0.35) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL14768461 0.84 USP2 (0.42) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL18705141 0.84 USP2 (0.33) CYP3A4TSHRCYP2D6CYP1A2USP2

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 9 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-20210186959-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2021-06-24 US disclosed
US-10953005-B1 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-03-23 US disclosed
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 US disclosed
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 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-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-10-26 US disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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 (8 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-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 CYP3A4 57/4885TSHR 1092/4885CYP2D6 190/4885
US-10953005-B1 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CYP3A4 3158/4885TSHR 1461/4885CYP2D6 3706/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT CYP3A4 3545/4885TSHR 3658/4885CYP2D6 2691/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP3A4 3158/4885TSHR 1461/4885CYP2D6 3706/4885
US-20210186959-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP3A4 3158/4885TSHR 1461/4885CYP2D6 3706/4885
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CYP3A4 3158/4885TSHR 1461/4885CYP2D6 3706/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP3A4 3158/4885TSHR 1461/4885CYP2D6 3706/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP3A4 3158/4885TSHR 1461/4885CYP2D6 3706/4885

“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.