SCHEMBL3285141

SCHEMBL3285141

CSc1nc(-c2ccccc2)c2cnc(=O)n(-c3ccccc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
NTRK1 P04629 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 5/20 0.41
USP2 O75604 4/20 0.41
MAPK1 P28482 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAT2A P31153 1/20 0.40
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 3/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1064871 0.83 KDM4E (0.45) KDM4ENTRK1NPSR1ALDH1A1CYP1A2
SCHEMBL3278365 0.80 KDM4E (0.43) KDM4ENTRK1NPSR1MEN1KMT2A
SCHEMBL22056905 0.76 MAPK1 (0.43) KDM4ENTRK1NPSR1ALDH1A1CYP1A2
SCHEMBL3277888 0.75 ALDH1A1 (0.62) KDM4ENPSR1ALDH1A1CYP1A2USP2
SCHEMBL27243909 0.74 MAPT (0.44) NTRK1NPSR1MEN1KMT2ATHRB
SCHEMBL22056904 0.74 MAPK1 (0.50) NPSR1ALDH1A1CYP1A2MAPK1CYP2C19
SCHEMBL31347628 0.71 MAPK1 (0.43) KDM4ENTRK1NPSR1ALDH1A1CYP1A2
SCHEMBL21995313 0.71 MAPK1 (0.43) KDM4ENTRK1NPSR1ALDH1A1CYP1A2
SCHEMBL30879185 0.71 APLNR (0.41) NTRK1ALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL1227276 0.71 MAP4K1 (0.46) KDM4EALDH1A1CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700768-B2 Compounds GLAXOSMITHKLINE LLC (US) 2010-04-20 US disclosed
US-7629462-B2 Tetrasubstituted pyrimidine compounds as chemical intermediates SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-20090048442-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070238743-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2007-10-11 US disclosed
EP-1842851-A2 Novel compounds Smithkline Beecham Corporation (US) 2007-10-10 EP disclosed
US-20070167467-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2007-07-19 US disclosed
US-7235551-B2 1,5-disubstituted-3,4-dihydro-1h-pyrimido[4,5-d]pyrimidin-2-one compounds and their use in treating csbp/p38 kinase mediated diseases SMITHKLINE BEECHAM CORPORATION (US) 2007-06-26 US disclosed
EP-1265900-B1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO 4,5-D|PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2007-05-16 EP disclosed
US-20030100756-A1 1,5- disubstituted-3,4-dihydro-1h-pyrimido[4,5-d]pyrimidin-2-one compounds and their use in treating csbp/p38 kinase mediated diseases GLAXOSMITHKLINE LLC 2003-05-29 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 (4 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-20030100756-A1 1,5- disubstituted-3,4-dihydro-1h-pyrimido[4,5-d]pyrimidin-2-one compounds and their use in treating csbp/p38 kinase mediated diseases MAPKAPK2, MAPK4, MAP4K2 KDM4E 2911/4885NTRK1 3692/4885NPSR1 2872/4885
US-20070167467-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES MAPKAPK2, CREBBP, CNBP KDM4E 3295/4885NTRK1 3765/4885NPSR1 3100/4885
US-20070238743-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES MAPKAPK2, CREBBP, CNBP KDM4E 3295/4885NTRK1 3765/4885NPSR1 3100/4885
US-20090048442-A1 Novel compounds CREBBP, MAPKAPK2, CNBP KDM4E 3338/4885NTRK1 2523/4885NPSR1 3849/4885

“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.