SCHEMBL15112835

SCHEMBL15112835

CN1CCC2(CCCN(C(C)(C)C)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.41
TSHR P16473 6/20 0.41
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 2/20 0.41
USP2 O75604 4/20 0.40
CYP2C19 P33261 3/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL17886517 0.94 USP2 (0.41) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL13050810 0.92 USP2 (0.44) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL24363769 0.90 USP2 (0.38) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL13697423 0.90 CYP3A4 (0.34) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL25738932 0.88 USP2 (0.35) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL16624956 0.88 GRIN2D (0.34) USP2
SCHEMBL19104238 0.84 USP2 (0.42) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL19255424 0.84 CYP3A4 (0.43) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL17281962 0.84 USP2 (0.33) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL24363770 0.82 USP2 (0.49) 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 13 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-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof XUANZHU PHARMA CO, LTD. (CN) 2019-12-17 US disclosed
US-10195200-B2 Covalent inhibitors of CDK-7 NEWAVE PHARMACEUTICAL INC. (US) 2019-02-05 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-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO, LTD. (CN) 2017-11-23 US disclosed
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO, LTD. (CN) 2017-11-23 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-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-10-26 US disclosed
US-9730934-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-08-15 US disclosed
US-9730934-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-08-15 US disclosed
US-20130184297-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2013-07-18 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-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 CYP3A4 57/4885TSHR 1092/4885CYP2D6 190/4885
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP3A4 3158/4885TSHR 1461/4885CYP2D6 3706/4885
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 CYP3A4 57/4885TSHR 1092/4885CYP2D6 190/4885
US-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof NQO2, CHRM1, CHRM2 CYP3A4 57/4885TSHR 1092/4885CYP2D6 190/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP3A4 3158/4885TSHR 1461/4885CYP2D6 3706/4885
US-20130184297-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 CYP3A4 57/4885TSHR 1092/4885CYP2D6 190/4885
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-10195200-B2 Covalent inhibitors of CDK-7 CDK7, CDKL1, CDK1 CYP3A4 1982/4885TSHR 2097/4885CYP2D6 1355/4885
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.