SCHEMBL4764458

SCHEMBL4764458

CCOC(=O)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 7/20 0.55
HDAC1 Q13547 2/20 0.53
KDM1A O60341 1/20 0.53
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
SYK P43405 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 1/20 0.47
SCN10A Q9Y5Y9 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
SCHEMBL28879183 0.90 JMJD6 (0.55) JMJD6ABL1BCRMAPTMEN1
SCHEMBL581356 0.85 KDM4C (0.58) JMJD6HDAC1KDM1AABL1BCR
SCHEMBL4770697 0.85 JMJD6 (0.59) JMJD6MAPTKDM4EMEN1KMT2A
SCHEMBL4763737 0.85 JMJD6 (0.61) JMJD6HDAC1KDM1AMAPTKDM4E
SCHEMBL4768876 0.83 JMJD6 (0.59) JMJD6MAPTKDM4EALDH1A1
SCHEMBL4763698 0.83 JMJD6 (0.64) JMJD6MAPTALDH1A1
SCHEMBL4763680 0.82 JMJD6 (0.67) JMJD6MAPTKDM4EKDM4CALDH1A1
SCHEMBL30171421 0.82 JMJD6 (0.76) JMJD6KDM4EKDM4C
SCHEMBL811785 0.82 JMJD6 (0.76) JMJD6KDM4EKDM4C
SCHEMBL4766855 0.82 JMJD6 (0.57) JMJD6HDAC1KDM1AABL1BCR

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 5 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-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 1967/4885HDAC1 504/4885KDM1A 2917/4885

“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.