SCHEMBL2905022

SCHEMBL2905022

COc1cc2cc(C#N)ccc2c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 2/20 0.47
RIPK2 O43353 2/20 0.47
COQ8A Q8NI60 2/20 0.47
NLK Q9UBE8 2/20 0.47
MAOA P21397 2/20 0.45
AR P10275 3/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1B Q00975 1/20 0.42
HPGDS O60760 1/20 0.41
BRAF P15056 1/20 0.38
NCEH1 Q6PIU2 2/20 0.38
ACHE P22303 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
HPGD P15428 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL2903639 0.87 MAOA (0.49) GAKRIPK2COQ8ANLKMAOA
SCHEMBL28313760 0.78 GAK (0.43) GAKRIPK2COQ8ANLKAR
SCHEMBL7341254 0.77 AR (0.56) ARCACNA1GCACNA1BHPGDS
SCHEMBL26259796 0.77 NCEH1 (0.41) GAKRIPK2COQ8ANLKAR
SCHEMBL7337530 0.75 AR (0.46) GAKRIPK2COQ8ANLKAR
SCHEMBL6100395 0.75 HPGDS (0.56) GAKRIPK2COQ8ANLKAR
SCHEMBL27572009 0.74 MAOA (0.49) MAOAACHENPC1SMN1; SMN2KDM4E
SCHEMBL18754324 0.73 AR (0.49) GAKRIPK2COQ8ANLKAR
Methyl Alcohol SCHEMBL28281671 0.72 MAOA (0.47) MAOAACHENPC1SMN1; SMN2KDM4E
SCHEMBL16506150 0.72 NCEH1 (0.46) GAKRIPK2COQ8ANLKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
CN-100491352-C Asymmetrical cyclic diamine compound KOWA CO (JP) 2009-05-27 CN disclosed
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
CN-1281585-C Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2006-10-25 CN disclosed
CN-1599717-A Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2005-03-23 CN disclosed
CN-1520402-A Unsymmetrical cyclic diamine compound ������������ʽ���� 2004-08-11 CN disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 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 (3 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 GAK 2803/4885RIPK2 2443/4885COQ8A 4772/4885
US-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 GAK 2417/4885RIPK2 4436/4885COQ8A 2360/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 GAK 2803/4885RIPK2 2443/4885COQ8A 4772/4885

“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.