SCHEMBL9910068

SCHEMBL9910068

CC(C)c1cccc2oncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
GABRA1 P14867 3/20 0.39
LMNA P02545 3/20 0.39
GABRB2 P47870 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 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
SCHEMBL25597122 0.86 BRD4 (0.35) BRD4GABRA1LMNAGABRB2GABRG2
SCHEMBL22022005 0.80 BRD4 (0.37) BRD4FAAHTSHR
SCHEMBL16746110 0.76 BRD4 (0.32) BRD4HSP90AA1HSP90AB1HSP90B1
SCHEMBL2005190 0.74 BRD4 (0.41) BRD4LMNACA1CA2HIF1A
SCHEMBL16698860 0.74 BRD4 (0.41) BRD4
SCHEMBL8098549 0.74 BRD4 (0.45) BRD4CA1CA2CYP1A2TSHR
SCHEMBL17240950 0.73 BRD4 (0.35) BRD4LMNATSHRPTGS1HIF1A
SCHEMBL6124120 0.72 HSP90AA1 (0.41) HSP90AA1HSP90AB1HSP90B1
SCHEMBL21914103 0.72 GABRA1 (0.37) GABRA1GABRB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL2005193 0.71 BRD4 (0.42) BRD4LMNACA1CA2CYP1A2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
WO-2022094271-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2022-05-05 WO disclosed
US-20220062296-A1 COMBINATIONS OF GABAA ALPHA 5 AGONISTS AND SV2A INHIBITORS AND METHODS OF USING IN THE TREATMENT OF COGNITIVE IMPAIRMENT AGENEBIO, INC. 2022-03-03 US disclosed
US-20200048268-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-13 US disclosed
US-9533986-B2 Bicyclic dihydropyridone kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-01-03 US disclosed
US-9469654-B2 Bicyclic oxa-lactam kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2016-10-18 US disclosed
US-20150266871-A1 BICYCLIC DIHYDROPYRIDONE KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-24 US disclosed
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-10 US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 BRD4 123/4885GABRA1 2677/4885LMNA 4281/4885
US-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET BRD4 3499/4885GABRA1 2292/4885LMNA 3006/4885
US-20150266871-A1 BICYCLIC DIHYDROPYRIDONE KINASE INHIBITORS SYK, JAK2, ZAP70 BRD4 370/4885GABRA1 1058/4885LMNA 4542/4885
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS SYK, BTK, JAK2 BRD4 601/4885GABRA1 1343/4885LMNA 4511/4885
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS SYK, LCK, BTK BRD4 1222/4885GABRA1 2476/4885LMNA 3173/4885
US-20200048268-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GABRA5, GRM5, GABRA1 BRD4 410/4885GABRA1 3/4885LMNA 2588/4885
US-20220062296-A1 COMBINATIONS OF GABAA ALPHA 5 AGONISTS AND SV2A INHIBITORS AND METHODS OF USING IN THE TREATMENT OF COGNITIVE IMPAIRMENT GABRA5, GRM5, GABRA2 BRD4 3419/4885GABRA1 9/4885LMNA 2165/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS BRD4 882/4885GABRA1 3975/4885LMNA 2462/4885

“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.