SCHEMBL2908065

SCHEMBL2908065

COc1cc2nc(CN3CCCN(Cc4nc5cc(OC)c(OC)c(OC)c5n4C)CC3)n(C)c2c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
DRD2 P14416 1/20 0.41
GRM2 Q14416 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
SLC29A1 Q99808 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ABCC4 O15439 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL2903488 0.80 KDM4E (0.45) KDM4EMEN1KMT2APOLBDRD2
SCHEMBL2908068 0.78 KDM4E (0.41) KDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL2902244 0.78 KDM4E (0.44) KDM4ELMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL2910405 0.75 GRM2 (0.43) KDM4EMEN1KMT2APOLBDRD2
SCHEMBL2907911 0.73 MAPT (0.48) KDM4EMEN1KMT2APOLBDRD2
SCHEMBL2911395 0.73 KDM4E (0.46) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL2909778 0.72 KDM4E (0.45) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL2910348 0.72 KDM4E (0.45) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL2906742 0.71 KDM4E (0.36) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2910549 0.68 KDM4E (0.47) KDM4EMEN1KMT2APOLBLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 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 (2 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 KDM4E 2052/4885MEN1 1989/4885KMT2A 916/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 KDM4E 2052/4885MEN1 1989/4885KMT2A 916/4885

“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.