SCHEMBL4170787

SCHEMBL4170787

CCc1cc(-c2nc(C)c(C=CC(=O)N(C)C)s2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.49
DBF4 Q9UBU7 5/20 0.49
SREBF2 Q12772 5/20 0.41
SREBF1 P36956 1/20 0.41
PDE10A Q9Y233 1/20 0.36
WNT3A P56704 1/20 0.35
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4170788 0.76 ALDH1A1 (0.63) CDC7DBF4SREBF2SREBF1PDE10A
SCHEMBL4154288 0.76 HSD17B10 (0.43) ALDH1A1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL2412008 0.75 CYP1A2 (0.54) ALDH1A1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL27875453 0.74 CDC7 (0.63) CDC7DBF4SREBF2SREBF1ALDH1A1
SCHEMBL4164806 0.72 KDM4E (0.36) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL28628291 0.71 CDC7 (0.80) CDC7DBF4ALDH1A1MAPTLMNA
SCHEMBL4161913 0.71 CCNC (0.36) ALDH1A1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4167341 0.70 KDM4E (0.53) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL5164107 0.70 CDC7 (0.52) CDC7DBF4SREBF2SREBF1PDE10A
SCHEMBL6496072 0.69 CDC7 (0.57) CDC7DBF4SREBF2SREBF1PDE10A

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 CDC7 206/4885DBF4 2211/4885SREBF2 3401/4885

“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.