SCHEMBL4764276

SCHEMBL4764276

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
CHKA P35790 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PPARG P37231 1/20 0.41

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 0.89 TGFBR1 (0.49) TGFBR1ACVR1MEN1KMT2ASMN1; SMN2
SCHEMBL4763673 0.88 DRD2 (0.48) TGFBR1ACVR1MEN1KMT2AHTT
SCHEMBL4770488 0.87 TGFBR1 (0.49) TGFBR1ACVR1MEN1KMT2APOLB
SCHEMBL7165935 0.87 HDAC1 (0.50) TGFBR1ACVR1MEN1KMT2AKDM4E
SCHEMBL4763699 0.87 TGFBR1 (0.51) TGFBR1ACVR1MEN1KMT2ALMNA
SCHEMBL4764307 0.86 HSP90AA1 (0.57) TGFBR1ACVR1MEN1KMT2ALMNA
SCHEMBL4768772 0.86 TGFBR1 (0.48) TGFBR1ACVR1MEN1KMT2ALMNA
SCHEMBL4768430 0.86 POLB (0.53) TGFBR1ACVR1POLBALDH1A1JAK2
SCHEMBL7161609 0.85 HCRTR1 (0.51) POLBALDH1A1
SCHEMBL7160532 0.85 KDM4E (0.51) TGFBR1ACVR1MEN1KMT2ALMNA

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 2795/4885MEN1 1047/4885

“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.