SCHEMBL4172292

SCHEMBL4172292

Cc1nc(NC(C)(C)C)sc1C=CC(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 3/20 0.34
HPGD P15428 3/20 0.33
KMT2A Q03164 1/20 0.33
NR4A2 P43354 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2075029 0.84 JAK2 (0.42) KDM4ERAB9AHPGDKMT2ANR4A2
SCHEMBL2075809 0.81 NPC1 (0.38) KDM4ERAB9AHPGDKMT2ANR4A2
SCHEMBL6362764 0.77 MAPT (0.41) PIK3CGKDM4ERAB9AHPGDALDH1A1
SCHEMBL2076088 0.77 NR4A2 (0.35) KDM4ERAB9ANR4A2ALDH1A1POLB
SCHEMBL4800941 0.76 NPC1 (0.40) ALDH1A1NPC1
SCHEMBL4166886 0.76 RAB9A (0.51) KDM4ERAB9AHPGDKMT2ANR4A2
SCHEMBL4163033 0.76 ALDH1A1 (0.54) PIK3CGKDM4ERAB9AHPGDKMT2A
SCHEMBL4159114 0.75 NR4A2 (0.33) KDM4ERAB9AHPGDNR4A2ALDH1A1
SCHEMBL4164802 0.74 NPC1 (0.52) KDM4ERAB9AHPGDKMT2ANR4A2
SCHEMBL4167886 0.73 NPC1 (0.65) KDM4ERAB9AHPGDKMT2ANR4A2

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 1 patent. 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

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 PIK3CG 338/4885KDM4E 2234/4885RAB9A 2128/4885

“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.