SCHEMBL2005686

SCHEMBL2005686

CNC(=O)c1cncc(C)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAF1 P04049 2/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
NNMT P40261 1/20 0.34
NUDT1 P36639 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
MAP4K1 Q92918 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL30573034 0.79 KDM4E (0.52) SIRT3TDP1KDM4EGABRPGABRD
SCHEMBL2003114 0.79 KDM4E (0.52) SIRT3TDP1KDM4EGABRPGABRD
SCHEMBL30573060 0.78 KDM4E (0.50) SIRT3TDP1KDM4EGAACASP1
SCHEMBL2003190 0.78 KDM4E (0.50) SIRT3TDP1KDM4EGAACASP1
SCHEMBL13162016 0.76 SIRT3 (0.61) SIRT3TDP1TYK2KDM4EGAA
SCHEMBL30107188 0.76 SIRT3 (0.61) SIRT3TDP1TYK2KDM4EGAA
SCHEMBL19414812 0.73 GABRP (0.66) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL26349642 0.73 RAF1 (0.42) SIRT3TDP1RAF1GAANUDT1
SCHEMBL21608720 0.72 POLB (0.43) JAK2KDM4EGAAPLK1
SCHEMBL635088 0.72 PLK1 (0.50) KDM4EGAAPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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 (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-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 SIRT3 353/4885TDP1 2669/4885RAF1 1335/4885

“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.