SCHEMBL16824895

SCHEMBL16824895

CNc1nc(SC)ncc1C(=O)Nc1ccccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
LMNA P02545 2/20 0.67
KDM4E B2RXH2 1/20 0.67
RXFP1 Q9HBX9 5/20 0.59
NPC1 O15118 1/20 0.55
CYP1A2 P05177 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
AHR P35869 1/20 0.48
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
NR3C1 P04150 1/20 0.47

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
SCHEMBL16824896 0.87 RXFP1 (0.52) MAPTLMNAKDM4ERXFP1NPC1
SCHEMBL16166923 0.85 MAPT (0.70) MAPTLMNAKDM4ERXFP1NPC1
SCHEMBL20873927 0.85 MAPT (0.70) MAPTLMNAKDM4ERXFP1NPC1
SCHEMBL15206887 0.83 MAPT (0.67) MAPTLMNAKDM4ERXFP1NPC1
SCHEMBL16824972 0.83 RXFP1 (0.58) MAPTLMNAKDM4ERXFP1NPC1
SCHEMBL16824859 0.82 RXFP1 (0.48) MAPTLMNAKDM4ERXFP1KMT2A
SCHEMBL30656122 0.82 RXFP1 (0.48) MAPTLMNAKDM4ERXFP1KMT2A
SCHEMBL28094395 0.79 RXFP1 (0.46) MAPTLMNAKDM4ERXFP1NPC1
SCHEMBL14875553 0.78 MAPT (0.45) MAPTLMNAKDM4ERXFP1NPC1
SCHEMBL1815515 0.77 MAPT (0.55) MAPTLMNAKDM4ERXFP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 EP disclosed
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 US disclosed
EP-3083625-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS Almac Discovery Limited (GB) 2016-10-26 EP disclosed
CN-105829315-A Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2016-08-03 CN disclosed
WO-2015092431-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2015-06-25 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-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 MAPT 3728/4885LMNA 3631/4885KDM4E 652/4885

“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.