SCHEMBL3278731

SCHEMBL3278731

CSc1nc(N)c(C#N)c(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 5/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA13 Q8N1Q1 3/20 0.46
KDM4E B2RXH2 8/20 0.45
MEN1 O00255 4/20 0.45
HTT P42858 4/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
HPGD P15428 3/20 0.43
GALR3 O60755 1/20 0.43

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
SCHEMBL31265674 1.00 ALDH1A1 (0.55) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2132489 0.86 KMT2A (0.60) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1939799 0.79 KMT2A (0.58) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1939642 0.79 NPSR1 (0.44) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL14294953 0.78 KMT2A (0.53) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL16875050 0.76 KMT2A (0.51) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL15410879 0.75 ALDH1A1 (0.66) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL11225658 0.74 HSP90AB1 (0.40) KMT2ACYP1A2CYP2C9CYP2C19CA1
SCHEMBL13729450 0.74 ALDH1A1 (0.59) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL11191903 0.74 HSP90AB1 (0.40) KMT2ACYP1A2CYP2C9CYP2C19CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872507-A1 AZAINDOLE DERIVATIVES WHICH ACT AS PI3K INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2015-05-20 EP disclosed
US-20140343033-A1 AZAINDOLE DERIVATIVES Takeda Califomia, Inc. (US) 2014-11-20 US disclosed
US-8835420-B2 Azaindole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-16 US disclosed
US-20140018344-A1 AZAINDOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-16 US disclosed
WO-2014011568-A1 AZAINDOLE DERIVATIVES WHICH ACT AS PI3K INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-16 WO disclosed
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 (6 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 ALDH1A1 3713/4885KMT2A 3768/4885CYP1A2 4476/4885
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 ALDH1A1 3443/4885KMT2A 3558/4885CYP1A2 4435/4885
US-20140343033-A1 AZAINDOLE DERIVATIVES PIK3R5, PIK3R1, PIK3R2 ALDH1A1 1597/4885KMT2A 2404/4885CYP1A2 600/4885
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 ALDH1A1 3443/4885KMT2A 3558/4885CYP1A2 4435/4885
US-20090048442-A1 Novel compounds CREBBP, MAPKAPK2, CNBP ALDH1A1 3936/4885KMT2A 3486/4885CYP1A2 4644/4885
US-20140018344-A1 AZAINDOLE DERIVATIVES PIK3R5, PIK3R1, PIK3R2 ALDH1A1 1597/4885KMT2A 2404/4885CYP1A2 600/4885

“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.