SCHEMBL4170788

SCHEMBL4170788

CCc1cc(-c2nc(C)c(C(=O)C=CN(C)C)s2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
KMT2A Q03164 5/20 0.63
NPC1 O15118 4/20 0.63
MEN1 O00255 4/20 0.63
CDC7 O00311 2/20 0.54
DBF4 Q9UBU7 2/20 0.54
MAPT P10636 10/20 0.53
LMNA P02545 4/20 0.44
ATM Q13315 1/20 0.44
SREBF1 P36956 1/20 0.41
SREBF2 Q12772 1/20 0.41
GSK3B P49841 1/20 0.40
POLB P06746 2/20 0.40
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL27875453 0.81 CDC7 (0.63) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL28628291 0.78 CDC7 (0.80) ALDH1A1CDC7DBF4MAPTLMNA
SCHEMBL5164107 0.76 CDC7 (0.52) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL4170787 0.76 CDC7 (0.49) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL4154290 0.76 RAB9A (0.70) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL20550692 0.76 RAB9A (0.69) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL20550430 0.76 RAB9A (0.77) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL12278025 0.75 ALDH1A1 (0.76) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL2412009 0.75 ALDH1A1 (0.76) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL28795822 0.74 MAPT (0.56) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1

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 ALDH1A1 2743/4885RAB9A 2128/4885SMN1; SMN2 2335/4885

“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.