SCHEMBL4768772

SCHEMBL4768772

COc1cc(-c2cc(CN3CCN(Cc4ccnc(-c5ccc(Cl)cc5)c4)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.48
ACVR1 Q04771 1/20 0.48
WNK1 Q9H4A3 1/20 0.48
JAK2 O60674 3/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
EGFR P00533 1/20 0.47
CDK2 P24941 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PTK2B Q14289 1/20 0.47
F10 P00742 1/20 0.47
MCL1 Q07820 1/20 0.46
JAK1 P23458 2/20 0.46
PDGFRB P09619 1/20 0.45
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL4769199 0.97 WNK1 (0.51) TGFBR1ACVR1WNK1JAK2USP2
SCHEMBL4763764 0.92 TGFBR1 (0.49) TGFBR1ACVR1JAK2USP2LMNA
SCHEMBL4773743 0.91 TGFBR1 (0.53) TGFBR1ACVR1WNK1JAK2USP2
SCHEMBL4770488 0.90 TGFBR1 (0.49) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL7165935 0.90 HDAC1 (0.50) TGFBR1ACVR1JAK2JAK1PDGFRB
SCHEMBL4763699 0.90 TGFBR1 (0.51) TGFBR1ACVR1JAK2USP2LMNA
SCHEMBL4763673 0.89 DRD2 (0.48) TGFBR1ACVR1JAK2CDK2JAK1
SCHEMBL4768430 0.89 POLB (0.53) TGFBR1ACVR1JAK2JAK1ACHE
SCHEMBL7161609 0.88 HCRTR1 (0.51) ACHEBACE1DRD2DRD4DRD3
SCHEMBL7160532 0.88 KDM4E (0.51) TGFBR1ACVR1JAK2LMNAJAK1

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 2795/4885WNK1 748/4885

“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.