SCHEMBL4768424

SCHEMBL4768424

CCOC(=O)c1ccnc(-c2cccc(OC)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 6/20 0.54
WNK1 Q9H4A3 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
TP53 P04637 2/20 0.49
CSNK1D P48730 1/20 0.49
BRAF P15056 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL28334801 0.88 JMJD6 (0.57) JMJD6KDM4ETP53LMNAMAPT
SCHEMBL28493230 0.87 KDM4E (0.58) JMJD6WNK1KDM4EALDH1A1ABL1
SCHEMBL4766855 0.86 JMJD6 (0.57) JMJD6KDM4EALDH1A1ABL1BCR
SCHEMBL31417865 0.85 JMJD6 (0.56) JMJD6ALDH1A1TP53HPGDLMNA
SCHEMBL14241073 0.85 WNK1 (0.55) WNK1ALDH1A1ABL1BCRLMNA
SCHEMBL4763680 0.84 JMJD6 (0.67) JMJD6KDM4EALDH1A1TP53LMNA
SCHEMBL21311114 0.83 STIM1 (0.57) WNK1KDM4EABL1BCR
SCHEMBL29482126 0.83 STIM1 (0.57) WNK1KDM4EABL1BCR
SCHEMBL21311062 0.82 WNK1 (0.51) WNK1KDM4EABL1BCRMAPT
SCHEMBL1248647 0.82 SMN1; SMN2 (0.65) ALDH1A1HSD17B10LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP 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-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 (1 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-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 JMJD6 1967/4885WNK1 748/4885KDM4E 3292/4885

“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.