SCHEMBL4773743

SCHEMBL4773743

COc1cc(-c2ccc(CN3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)cc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.53
ACVR1 Q04771 1/20 0.53
JAK2 O60674 4/20 0.49
JAK1 P23458 4/20 0.49
TYK2 P29597 3/20 0.48
JAK3 P52333 3/20 0.48
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
ALK Q9UM73 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
WNK1 Q9H4A3 1/20 0.42

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
SCHEMBL4763764 0.94 TGFBR1 (0.49) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL6637120 0.92 TGFBR1 (0.52) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4769199 0.92 WNK1 (0.51) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4763699 0.92 TGFBR1 (0.51) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4768430 0.91 POLB (0.53) TGFBR1ACVR1JAK2JAK1POLB
SCHEMBL4772860 0.91 MAPK1 (0.49) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4768772 0.91 TGFBR1 (0.48) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL7160532 0.91 KDM4E (0.51) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4764246 0.91 BACE1 (0.51) TGFBR1ACVR1JAK2JAK1ALDH1A1
SCHEMBL4763891 0.90 KDM4E (0.53) TGFBR1ACVR1JAK2JAK1TYK2

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 TGFBR1 3689/4885ACVR1 2795/4885JAK2 983/4885

“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.