SCHEMBL4774256

SCHEMBL4774256

COc1cc(-c2cc(CN3CCN(CCc4ccc5c(OC)c(OC)c(OC)cc5c4)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
TYK2 P29597 3/20 0.40
JAK3 P52333 3/20 0.40
SRC P12931 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
ABCB1 P08183 1/20 0.37
MCHR1 Q99705 1/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
F10 P00742 1/20 0.37
CHEK1 O14757 1/20 0.37
CDK7 P50613 1/20 0.37
PTAFR P25105 1/20 0.36

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
SCHEMBL4774671 0.94 TGFBR1 (0.41) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4766894 0.94 TGFBR1 (0.44) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4766895 0.94 TGFBR1 (0.44) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4763764 0.84 TGFBR1 (0.49) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL2908950 0.82 SIGMAR1 (0.49) EBPSIGMAR1
SCHEMBL4772534 0.81 SMN1; SMN2 (0.48) TGFBR1ACVR1SMN1; SMN2KDM4EEBP
SCHEMBL4774242 0.81 KMT2A (0.54) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4773743 0.81 TGFBR1 (0.53) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4763891 0.80 KDM4E (0.53) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL2907730 0.80 KDM4E (0.50) SMN1; SMN2KDM4EMCHR1

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
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 claimed
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.