SCHEMBL1363612

SCHEMBL1363612

Cc1c(Br)cccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.45
PARP1 P09874 6/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
CD38 P28907 1/20 0.41
GAA P10253 1/20 0.40
BCAT2 O15382 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PDPK1 O15530 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
SCHEMBL3397727 0.87 CD38 (0.43) METAP2PARP1ALDH1A1MAPTKDM4E
SCHEMBL39964 0.84 KDM4E (0.52) METAP2PARP1ALDH1A1MAPTKDM4E
SCHEMBL11089840 0.83 PRNP (0.47) ALDH1A1MAPTKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL4562961 0.82 PARP1 (0.50) METAP2PARP1ALDH1A1MAPTKDM4E
SCHEMBL29621571 0.81 TSHR (0.52) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL211283 0.81 TSHR (0.52) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6469935 0.81 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10
SCHEMBL3117625 0.81 ERN1 (0.47) PARP1ALDH1A1MAPTKDM4EHPGD
SCHEMBL4443208 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3710686 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114650993-B PD-1/PD-L1 inhibitor and preparation method and application thereof 上海华汇拓医药科技有限公司 2024-11-26 CN disclosed
CN-115232125-B Polysubstituted benzene immunomodulatory compounds, composition and application thereof 杭州和正医药有限公司 2024-06-18 CN disclosed
CN-115232125-A Multi-substituted benzene immunomodulatory compounds, compositions and uses thereof 杭州和正医药有限公司 2022-10-25 CN disclosed
CN-109535155-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2022-07-12 CN disclosed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed
US-20210346369-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2021-11-11 US disclosed
WO-2021047556-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME AND USE THEREOF 上海长森药业有限公司 2021-03-18 WO disclosed
CN-107635970-B Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-03-12 CN disclosed
WO-2020247789-A1 PROCESSES FOR PREPARING AMINOPYRIMIDINE COMPOUNDS ARCUS BIOSCIENCES, INC. (US) 2020-12-10 WO disclosed
US-20200345717-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2020-11-05 US disclosed
EP-1896461-A2 BIS-ARYL KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER Amgen Inc. (US) 2008-03-12 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2007076247-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 WO disclosed
WO-2007076247-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 WO disclosed
US-20070054903-A1 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2007-03-08 US disclosed
US-20070054903-A1 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2007-03-08 US disclosed
US-20070054903-A1 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2007-03-08 US disclosed
WO-2007005668-A2 BIS-ARYL KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-01-11 WO disclosed
WO-2007005668-A2 BIS-ARYL KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-01-11 WO 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 (3 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-20200345717-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 METAP2 2120/4885PARP1 1483/4885ALDH1A1 4319/4885
US-20210346369-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 METAP2 2120/4885PARP1 1483/4885ALDH1A1 4319/4885
US-20070054903-A1 Bis-aryl kinase inhibitors and method HGF, MET, BLK METAP2 549/4885PARP1 1634/4885ALDH1A1 369/4885

“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.