SCHEMBL10325263

SCHEMBL10325263

COc1cnc(C#N)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
MAPK1 P28482 3/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
USP8 P40818 2/20 0.36
RECQL P46063 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NQO1 P15559 1/20 0.35
HPGD P15428 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CD O00329 1/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL362305 0.81 SRC (0.39) HPGDSUSP8CYP11B1CYP11B2NQO1
SCHEMBL1846308 0.81 HPGDS (0.39) HPGDSMAPK1USP8CYP11B1CYP11B2
SCHEMBL28757822 0.80 CYP11B1 (0.40) CYP11B1CYP11B2PIK3CDLMNA
SCHEMBL361785 0.80 PIK3CD (0.32) CYP11B1CYP11B2PIK3CD
SCHEMBL1006358 0.79 MAPT (0.46) HPGDSPOLBUSP8CYP11B1CYP11B2
SCHEMBL18036083 0.79 CYP11B1 (0.44) HPGDSTSHRUSP8CYP11B1CYP11B2
SCHEMBL26697698 0.79 PIK3CD (0.51) HPGDSUSP8RECQLCYP11B1CYP11B2
SCHEMBL29935957 0.79 PIK3CD (0.51) HPGDSUSP8RECQLCYP11B1CYP11B2
SCHEMBL362114 0.79 ADORA2A (0.37) TSHRRECQLCYP11B1CYP11B2PIK3CD
SCHEMBL16461718 0.78 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1MAPT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-10875860-B2 Azaindenoisoquinoline compounds and uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-12-29 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20200095243-A1 AZAINDENOISOQUINOLINE COMPOUNDS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-03-26 US disclosed
EP-3558993-A1 AZAINDENOISOQUINOLINE COMPOUNDS AND USES THEREOF Purdue Research Foundation (US) 2019-10-30 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20140187547-A1 AZAINDENOISOQUINOLINE TOPOISOMERASE I INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2014-07-03 US disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
US-20140018360-A1 AZAINDENOISOQUINOLINE TOPOISOMERASE I INHIBITORS PURDUE RESEARCH FOUNDATION 2014-01-16 US disclosed
US-20140018360-A1 AZAINDENOISOQUINOLINE TOPOISOMERASE I INHIBITORS PURDUE RESEARCH FOUNDATION 2014-01-16 US disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
EP-2663559-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
US-20130281449-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2013-10-24 US disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
WO-2012095463-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
US-20070037286-A1 Thyroxine-containing compound analysis methods APPLIED BIOSYSTEMS, LLC 2007-02-15 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-20130281449-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders GRIK5, OTC, GRIN2C HPGDS 1954/4885MAPK1 2158/4885TSHR 2929/4885
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP HPGDS 3085/4885MAPK1 2298/4885TSHR 3283/4885
US-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 HPGDS 1215/4885MAPK1 2622/4885TSHR 1191/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 HPGDS 1023/4885MAPK1 3368/4885TSHR 1832/4885
US-20140187547-A1 AZAINDENOISOQUINOLINE TOPOISOMERASE I INHIBITORS TOP2A, TOP1, TOP2B HPGDS 1411/4885MAPK1 3588/4885TSHR 4360/4885
US-10875860-B2 Azaindenoisoquinoline compounds and uses thereof TDP1, TDP2, TOP1 HPGDS 1959/4885MAPK1 2988/4885TSHR 4395/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 HPGDS 1215/4885MAPK1 2622/4885TSHR 1191/4885
US-20140018360-A1 AZAINDENOISOQUINOLINE TOPOISOMERASE I INHIBITORS TOP2A, TOP1, TOP2B HPGDS 1411/4885MAPK1 3588/4885TSHR 4360/4885
US-20200095243-A1 AZAINDENOISOQUINOLINE COMPOUNDS AND USES THEREOF TDP1, TDP2, TOP1 HPGDS 1959/4885MAPK1 2988/4885TSHR 4395/4885

“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.