SCHEMBL581398

SCHEMBL581398

COC(=O)c1ccnc(-c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
KDM6B O15054 2/20 0.71
KDM5C P41229 2/20 0.71
KDM4C Q9H3R0 2/20 0.71
KDM2A Q9Y2K7 2/20 0.71
KDM3A Q9Y4C1 2/20 0.71
KDM5B Q9UGL1 1/20 0.60
JMJD6 Q6NYC1 2/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 1/20 0.56
KAT6A Q92794 1/20 0.53
GAA P10253 1/20 0.51
FAAH O00519 1/20 0.51

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
SCHEMBL30772302 0.97 KDM4E (0.68) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3718393 0.97 KDM4E (0.68) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL15173414 0.90 KDM4E (0.67) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL28509907 0.89 KDM4E (0.61) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL27997808 0.89 KDM4E (0.69) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3709493 0.87 KDM4E (0.59) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1579012 0.87 KDM4E (0.67) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3713394 0.86 ABL1 (0.66) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30151105 0.86 ABL1 (0.66) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29894587 0.86 KDM4E (0.86) KDM4EKDM6BKDM5CKDM4CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118745147-A Cobalt-catalyzed method for preparing isonicotinic acid compound by taking carbon dioxide as carboxyl source 南开大学 2024-10-08 CN disclosed
US-20240327382-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 ALMAC DISCOVERY LIMITED (GB) 2024-10-03 US disclosed
EP-4313295-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) Almac Discovery Limited (GB) 2024-02-07 EP disclosed
CN-117430549-A Method for preparing isonicotinic acid compound by taking carbon dioxide as carboxyl source 南开大学 2024-01-23 CN disclosed
CN-117157285-A Pharmaceutical compounds as ubiquitin-specific protease 19 (USP 19) inhibitors 阿尔麦克探索有限公司 2023-12-01 CN disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
WO-2022200523-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2023-02-16 WO disclosed
WO-2022200523-A1 PHARMACEUTICALS COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2022-09-29 WO disclosed
CN-112048734-B Regioselective electrochemical synthesis method of nitrogen-containing aromatic heterocyclic carboxylic ester 四川大学 2022-06-10 CN disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 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 (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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 KDM4E 4675/4885KDM6B 4757/4885KDM5C 4673/4885
US-20240327382-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 USP19, USP18, UBE2I KDM4E 710/4885KDM6B 516/4885KDM5C 751/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 KDM4E 4661/4885KDM6B 4148/4885KDM5C 4397/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 KDM4E 4675/4885KDM6B 4757/4885KDM5C 4673/4885

“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.