SCHEMBL7916612

SCHEMBL7916612

COc1ncc(C(F)(F)F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
S100A9 P06702 1/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.38
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
ULK1 O75385 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29837917 1.00 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19S100A9KMT2A
SCHEMBL31525360 0.83 S100A9 (0.35) CYP1A2CYP3A4CYP2C19S100A9KMT2A
SCHEMBL6502269 0.82 NPSR1 (0.44) CYP1A2CYP3A4CYP2C19KMT2AHPGD
SCHEMBL15526532 0.82 HSD11B1 (0.36) S100A9RAB9AAURKAKDRAURKB
SCHEMBL7917480 0.82 LMNA (0.38) CYP1A2CYP3A4CYP2C19KMT2AHPGD
SCHEMBL15526446 0.82 HSD11B1 (0.36) S100A9RAB9AAURKAKDRAURKB
SCHEMBL8427120 0.81 KMT2A (0.47) CYP1A2CYP3A4CYP2C19KMT2AHPGD
SCHEMBL7909807 0.81 PTGS2 (0.39) CYP1A2CYP3A4CYP2C19KMT2AHPGD
SCHEMBL7917315 0.80 PTGS2 (0.48) CYP1A2CYP3A4CYP2C19KMT2AHPGD
SCHEMBL7919092 0.80 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2025-03-20 US disclosed
EP-4373814-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES Novartis AG (CH) 2024-05-29 EP disclosed
US-20240083897-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. 2024-03-14 US disclosed
CN-117651699-A Compounds and compositions for the treatment of coronavirus related diseases 诺华股份有限公司 2024-03-05 CN disclosed
CN-117203206-A GCN2 modulating compounds and uses thereof 希伯塞尔股份有限公司 2023-12-08 CN disclosed
EP-4281182-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF Hibercell, Inc. (US) 2023-11-29 EP disclosed
WO-2023002409-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2023-01-26 WO disclosed
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 US disclosed
WO-2022159746-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 US disclosed
WO-2015009525-A1 AZAINDOLE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING THE SAME GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-01-22 WO disclosed
WO-2014122474-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 WO disclosed
WO-2013122897-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-08-22 WO disclosed
US-6225320-B1 TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 2001-05-01 US disclosed
EP-0989987-A1 SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2000-04-05 EP disclosed
EP-0953566-A2 Selective transformation of pyridines with electrophiles BASF AKTIENGESELLSCHAFT (DE) 1999-11-03 EP disclosed
WO-1998054187-A1 SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1998-12-03 WO disclosed
US-4931452-A N-cyanomethyl-2-pyridinone insecticides THE DOW CHEMICAL COMPANY (US) 1990-06-05 US disclosed
WO-1989004301-A1 N-CYANOMETHYL-2-PYRIDINONE INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1989-05-18 WO disclosed
EP-0316185-A2 N-cyanomethyl-2-pyridinone insecticides THE DOW CHEMICAL COMPANY (US) 1989-05-17 EP 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 (4 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-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES ACE2, ACE, TMPRSS2 CYP1A2 162/4885CYP3A4 116/4885CYP2C19 130/4885
US-20240083897-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF EIF2AK4, GCN1, CLN6 CYP1A2 4569/4885CYP3A4 4760/4885CYP2C19 4766/4885
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1H CYP1A2 1551/4885CYP3A4 1013/4885CYP2C19 2504/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 CYP1A2 1656/4885CYP3A4 1558/4885CYP2C19 2994/4885

“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.