SCHEMBL4765604

SCHEMBL4765604

CC(c1ccccc1)n1c(N)c(C#N)c2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 4/20 0.39
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 3/20 0.36
ADORA2A P29274 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL14350726 0.82 CSNK2B (0.42) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3869722 0.73 LMNA (0.43) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL25244213 0.73 CA1 (0.48) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7076930 0.73 KDM4E (0.72) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7497574 0.70 SLC2A1 (0.52) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL14653052 0.69 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8083830 0.68 KDM4E (0.47) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3871079 0.68 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7701080 0.67 LRRK2 (0.56) KDM4E
SCHEMBL4074462 0.64 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432715-B1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-03-19 EP disclosed
EP-1432715-B1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-03-19 EP disclosed
US-7312224-B2 Pyrimidine derivatives MERCK PATENT GMBH (DE) 2007-12-25 US disclosed
US-7312224-B2 Pyrimidine derivatives MERCK PATENT GMBH (DE) 2007-12-25 US disclosed
US-20040242595-A1 Pyrimidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-12-02 US disclosed
EP-1432715-A2 PYRIMIDINE DERIVATIVES MERCK PATENT GmbH (DE) 2004-06-30 EP disclosed
WO-2003031447-A2 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2003-04-17 WO disclosed
WO-2003031447-A2 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2003-04-17 WO 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-20040242595-A1 Pyrimidine derivatives TYMP, DPYD, TYMS KDM4E 2620/4885ALDH1A1 671/4885HSD17B10 2095/4885

“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.