SCHEMBL4076490

SCHEMBL4076490

CCC1CN(C2CCCC2)c2nc(Cl)ncc2NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLK1 P53350 2/20 0.35
PLK3 Q9H4B4 1/20 0.35
PLK2 Q9NYY3 1/20 0.35
BRD4 O60885 1/20 0.32
PRKDC P78527 1/20 0.32
CNR2 P34972 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30
TNF P01375 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL4085785 0.91 KDM4E (0.34) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL4076273 0.85 KDM4E (0.37) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL3668111 0.84 KMT2A (0.36) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL15722113 0.82 KMT2A (0.37) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL3667333 0.82 KDM4E (0.37) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL3230980 0.82 OPRM1 (0.41) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL382821 0.79 PLK1 (0.51) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL30523195 0.79 PLK1 (0.51) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL92593 0.79 PLK1 (0.51) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL10319396 0.79 PLK1 (0.51) KDM4EMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 KDM4E 1150/4885MEN1 1136/4885ALDH1A1 1365/4885

“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.