SCHEMBL4065140

SCHEMBL4065140

Cn1ccnc1C(c1nccn1C)C(c1nccn1C)c1nccn1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
LPO P22079 1/20 0.48
CYP2D6 P10635 1/20 0.44
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.37
FGB P02675 1/20 0.37
TNNI3 P19429 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4065142 0.82 KDM4E (0.50) KDM4ELPOCYP2D6MAPTALOX15
SCHEMBL48851 0.82
SCHEMBL27217288 0.80
SCHEMBL9499461 0.80 KDM4E (0.69) KDM4ELPOCYP2D6MAPTALOX15
SCHEMBL1697176 0.80
SCHEMBL19143605 0.80
Fluoride SCHEMBL27856600 0.80 KDM4E (0.48) KDM4ELPOCYP2D6MAPTALOX15
SCHEMBL14060930 0.80 KDM4E (0.41) KDM4ELPOCYP2D6MAPTALOX15
Bromide SCHEMBL29393250 0.78 KDM4E (0.47) KDM4ELPOCYP2D6MAPTALOX15
SCHEMBL1490968 0.78

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
US-7553988-B2 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2009-06-30 US disclosed
EP-1439157-B1 Method for producing Suzuki coupling compound catalysed by a nickel compound SUMITOMO CHEMICAL CO (JP) 2007-07-11 EP disclosed
US-7217677-B2 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-15 US disclosed
US-20060281925-A1 METHOD FOR PRODUCING COUPLING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-12-14 US disclosed
US-20040161404-A1 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-19 US disclosed
EP-1439157-A2 Method for producing Suzuki coupling compound catalysed by a nickel compound Sumitomo Chemical Co.,Ltd. (JP) 2004-07-21 EP 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-20060281925-A1 METHOD FOR PRODUCING COUPLING COMPOUND RPL22, CYP4A22, PYM1 KDM4E 4615/4885LPO 3717/4885CYP2D6 1373/4885
US-20040161404-A1 Method for producing coupling compound PYM1, MALT1, BET1 KDM4E 4304/4885LPO 2702/4885CYP2D6 2500/4885

“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.