SCHEMBL14809658

SCHEMBL14809658

O=c1nc(-c2ccc(Br)cc2Cl)c2ncccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 3/20 0.44
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGES O14684 4/20 0.39
MAPT P10636 2/20 0.38
PARP1 P09874 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
GSK3B P49841 2/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36

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
SCHEMBL28986906 0.72 PARP1 (0.49) ITKKDM4EHSD17B10MAPTPARP1
SCHEMBL27937274 0.71 PTGES (0.42) KDM4EMEN1KMT2ACASP1NPSR1
SCHEMBL27945875 0.67 METAP1 (0.55) ITKKDM4EMEN1KMT2ACASP1
SCHEMBL5026927 0.67 MEN1 (0.65) KDM4EMEN1KMT2ACASP1NPSR1
SCHEMBL11605848 0.66 KDM4E (0.69) KDM4EMEN1KMT2ACASP1NPSR1
SCHEMBL29635109 0.66 GABRA1 (0.52) ITKKDM4EMAPTPARP1CCNB2
SCHEMBL21009120 0.66 GABRA1 (0.52) ITKKDM4EMAPTPARP1CCNB2
SCHEMBL1983703 0.66 PARP1 (0.49) ITKKDM4EMAPTPARP1L3MBTL1
SCHEMBL28893532 0.66 PARP1 (0.49) KDM4EHSD17B10MAPTPARP1CYP3A4
SCHEMBL3817890 0.66 PARP1 (0.49) KDM4EHSD17B10MAPTPARP1CYP3A4

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-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
EP-2694504-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER Afraxis Holdings, Inc. (US) 2014-02-12 EP disclosed
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 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-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 ITK 1808/4885KDM4E 1213/4885MEN1 1214/4885

“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.