SCHEMBL4158733

SCHEMBL4158733

CC(C)(CO)NS(=O)(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 12/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BRD4 O60885 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4151992 0.79 LMNA (0.52) CA1CA2MEN1LMNAMAPT
SCHEMBL4159966 0.79 LMNA (0.49) ALDH1A1CA1CA2MEN1LMNA
SCHEMBL5032675 0.78 ALDH1A1 (0.53) KIF18AKDM4EALDH1A1L3MBTL1CA1
SCHEMBL5032668 0.77 ALDH1A1 (0.50) KIF18AKDM4EALDH1A1L3MBTL1CA1
SCHEMBL4162355 0.77 CYP2C19 (0.55) KIF18AALDH1A1BRD4CA1CA2
SCHEMBL29539140 0.76 NAMPT (0.62) KIF18AALDH1A1CA1CA2MEN1
SCHEMBL1592707 0.76 LMNA (0.53) ALDH1A1CA1CA2MEN1LMNA
SCHEMBL4163423 0.76 PKM (0.50) ALDH1A1CA1CA2LMNAMAPT
SCHEMBL4163332 0.76 LMNA (0.51) KIF18ABRD4CA1CA2LMNA
SCHEMBL1348605 0.75 ATM (0.54) KIF18AKDM4EALDH1A1L3MBTL1BRD4

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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 KIF18A 1240/4885KDM4E 2234/4885ALDH1A1 2743/4885

“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.