SCHEMBL4040801

SCHEMBL4040801

NC(=O)c1cccc2cnccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
LMNA P02545 1/20 0.55
MAPKAPK2 P49137 1/20 0.55
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 2/20 0.51
PARP1 P09874 3/20 0.50
SIRT3 Q9NTG7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CDK5 Q00535 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47

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
SCHEMBL3844807 0.86 KDM4E (0.59) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29715203 0.86 KDM4E (0.59) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23376743 0.85 NUDT1 (0.51) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27598089 0.85 KDM4E (0.58) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2381295 0.85 KDM4E (0.46) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL117921 0.84 NR4A1 (0.60) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29702097 0.84 NR4A1 (0.60) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3936762 0.83 CYP3A4 (0.49) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1828133 0.82 KDM4E (0.55) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30098456 0.82 KDM4E (0.55) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836306-A Galactose glycoside derivatives as galectin-3 inhibitors 株式会社蒂奥姆生物 2024-04-05 CN claimed
CN-107001240-B Dipeptidyl ketoamide compounds and their use for treating and/or preventing fat accumulation 兰德施泰纳根梅德公司 2019-11-05 CN claimed
CN-107922383-A Selective anticancer compound 新加坡国立大学 2018-04-17 CN claimed
US-9388165-B2 Isoquinoline-5-carboxamide derivative having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2016-07-12 US claimed
US-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2015-07-09 US claimed
EP-2876107-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2015-05-27 EP claimed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed
CN-117836306-A Galactose glycoside derivatives as galectin-3 inhibitors 株式会社蒂奥姆生物 2024-04-05 CN disclosed
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 WO disclosed
EP-3999508-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-05-25 EP disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed
CN-114423757-A Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-04-29 CN disclosed
WO-2021011724-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-01-21 WO disclosed
WO-2014014270-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE 한미약품 주식회사 (KR) 2014-01-23 WO disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
WO-2010025235-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-04 WO disclosed
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2007-09-27 US disclosed
US-4396619-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed
US-4382932-A Isoquinolinium substituted cephalosporins ELI LILLY AND COMPANY (US) 1983-05-10 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 (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-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 KDM4E 3533/4885CYP1A2 38/4885CYP3A4 105/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885CYP1A2 1639/4885CYP3A4 1936/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885CYP1A2 1639/4885CYP3A4 1936/4885
US-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CSNK1A1, MAP3K5, MAP4K2 KDM4E 1369/4885CYP1A2 4057/4885CYP3A4 4295/4885

“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.