SCHEMBL4162497

SCHEMBL4162497

COc1ccc(CC(=O)NC(=N)N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
MAPK8 P45983 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
EPHX2 P34913 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
KLK7 P49862 1/20 0.51
MEN1 O00255 1/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CNR2 P34972 1/20 0.50

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
SCHEMBL17993501 0.84 HTT (0.65) HTTSMN1; SMN2NPC1LMNAMAPK8
SCHEMBL10928682 0.83 HTT (0.63) HTTSMN1; SMN2NPC1LMNATDP1
SCHEMBL7905681 0.81 HTT (0.71) HTTSMN1; SMN2NPC1LMNATDP1
SCHEMBL15892681 0.81 CTSD (0.61) HTTSMN1; SMN2LMNAEPHX2ALDH1A1
Hydrochloric Acid SCHEMBL10932165 0.81 HTT (0.61) HTTSMN1; SMN2NPC1LMNATDP1
SCHEMBL9664904 0.80 HTT (0.59) HTTSMN1; SMN2NPC1LMNAMAPK8
SCHEMBL2494898 0.80 HTT (0.73) HTTSMN1; SMN2NPC1LMNAMAPK8
SCHEMBL4928502 0.80 HTT (0.73) HTTSMN1; SMN2NPC1LMNAMAPK8
SCHEMBL10928155 0.79 HTT (0.58) HTTSMN1; SMN2NPC1LMNATDP1
SCHEMBL12505834 0.78 GAA (0.56) HTTSMN1; SMN2LMNAMAPK8TDP1

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 HTT 2241/4885SMN1; SMN2 2335/4885NPC1 2382/4885

“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.