SCHEMBL1900613

SCHEMBL1900613

COC(=O)c1cc(Cl)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
MAPT P10636 9/20 0.71
ALDH1A1 P00352 6/20 0.71
POLB P06746 3/20 0.71
HTT P42858 2/20 0.64
USP2 O75604 1/20 0.62
NPC1 O15118 1/20 0.62
HPGD P15428 3/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
AHR P35869 1/20 0.56
PLIN1 O60240 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL30365659 1.00 KDM4E (1.00) KDM4EMAPTALDH1A1POLBHTT
SCHEMBL14518623 0.84 MEN1 (0.72) KDM4EMAPTALDH1A1POLBUSP2
SCHEMBL8562988 0.84 KDM4E (0.72) KDM4EMAPTALDH1A1POLBHTT
SCHEMBL29280456 0.84 KDM4E (0.72) KDM4EMAPTALDH1A1POLBHTT
SCHEMBL22468805 0.83 KDM4E (0.71) KDM4EMAPTALDH1A1POLBHTT
SCHEMBL31295407 0.83 KDM4E (0.70) KDM4EALDH1A1POLBHTTHPGD
SCHEMBL663977 0.83 KDM4E (0.70) KDM4EMAPTALDH1A1POLBUSP2
SCHEMBL12903095 0.83 KDM4E (0.70) KDM4EALDH1A1POLBHTTHPGD
SCHEMBL72379 0.83 KDM4E (0.70) KDM4EMAPTALDH1A1POLBUSP2
SCHEMBL13209738 0.82 KDM4E (0.69) KDM4EMAPTALDH1A1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118488947-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2024-08-13 CN disclosed
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 US disclosed
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 EP disclosed
CN-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed
CN-109467549-B Quinoline-substituted chalcone compound, preparation method and application thereof 中国药科大学 2021-02-09 CN disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1333834-A2 ANTIINFLAMMATION AGENTS Tularik Inc. (US) 2003-08-13 EP disclosed
US-20020161004-A1 Antiinflammation agents SYNTEX (U.S.A.) LLC (US) 2002-10-31 US disclosed
WO-2002041843-A2 ANTIINFLAMMATION AGENTS TULARIK INC. (US) 2002-05-30 WO disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed
EP-0714393-B1 THIAZOLES AS ANTIVIRAL PFIZER (US) 1998-09-23 EP disclosed
US-5789408-A Antiviral thiazoles PFIZER INC. (US) 1998-08-04 US disclosed
EP-0714393-A1 THIAZOLES AS ANTIVIRAL PFIZER INC. (US) 1996-06-05 EP disclosed
WO-1995005378-A1 ANTIVIRAL THIAZOLES PFIZER INC. (US) 1995-02-23 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 (2 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-20020161004-A1 Antiinflammation agents TNF, NFATC1, NFKBIA KDM4E 4242/4885MAPT 4130/4885ALDH1A1 1743/4885
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN KDM4E 4144/4885MAPT 4234/4885ALDH1A1 3571/4885

“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.