SCHEMBL513565

SCHEMBL513565

Nc1nc(N)c2c(n1)CCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ACHE P22303 4/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
BPTF Q12830 1/20 0.54
NUDT1 P36639 1/20 0.44
APAF1 O14727 1/20 0.43
NSD2 O96028 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH2 P25021 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL29661474 1.00 KDM4E (0.57) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL3563842 0.95 KDM4E (0.63) KDM4EACHEMEN1MAPK1KMT2A
Ethylene SCHEMBL8636905 0.91 KDM4E (0.59) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL21963098 0.78 ACHE (0.56) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL9267023 0.77 ACHE (0.50) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL13394086 0.77 KDM4E (0.53) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL2922186 0.77 KDM4E (0.53) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL11563224 0.77 ACHE (0.50) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL9886276 0.77 KDM4E (0.92) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL4195401 0.76 KDM4E (0.38) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717472-A1 PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP claimed
WO-2019101984-A1 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2019-05-31 WO claimed
EP-3717472-A1 PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP disclosed
WO-2019101984-A1 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2019-05-31 WO disclosed
WO-2013019966-A1 AROMATIC BYCYCLIC DERIVATIVES AS CXCR4 RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-02-07 WO disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO disclosed
US-7820648-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2010-10-26 US disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 US disclosed
EP-0530579-B1 Condensed pyrimidine derivatives antitumor agents EISAI CO LTD (JP) 1998-11-11 EP disclosed
US-5554615-A ANTITUMOR EISAI CO., LTD. (JP) 1996-09-10 US disclosed
EP-0530579-A1 Condensed pyrimidine derivatives antitumor agents Eisai Co., Ltd. (JP) 1993-03-10 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 (3 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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP KDM4E 4438/4885ACHE 16/4885MEN1 3911/4885
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH CCNB1, TYMS, CCNA1 KDM4E 2265/4885ACHE 4829/4885MEN1 2058/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP KDM4E 4438/4885ACHE 16/4885MEN1 3911/4885

“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.