SCHEMBL4132347

SCHEMBL4132347

CN(C)c1ncc(NC(=O)Cc2ccccc2)c(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.51
CDK2 P24941 3/20 0.51
CDK5 Q00535 3/20 0.51
HPGD P15428 2/20 0.48
KCNQ2 O43526 1/20 0.47
TSHR P16473 1/20 0.46
RAB9A P51151 2/20 0.46
GALR3 O60755 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK8 P45983 2/20 0.45
MAPK10 P53779 2/20 0.45
KDM6B O15054 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4144040 0.80 LMNA (0.54) CCNE1CDK2CDK5HPGDTSHR
SCHEMBL4132392 0.80 MEN1 (0.52) CCNE1CDK2CDK5HPGDTSHR
SCHEMBL4132365 0.80 CCNE1 (0.49) CCNE1CDK2CDK5HPGDTSHR
SCHEMBL4132353 0.73 PIK3C3 (0.40) HPGDRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4001461 0.72 SMN1; SMN2 (0.54) CCNE1CDK2CDK5HPGDKCNQ2
SCHEMBL23331269 0.70 MEN1 (0.64) HPGDTSHRRAB9AHTTSMN1; SMN2
SCHEMBL15437984 0.69 KMT2A (0.77) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30117933 0.69 KMT2A (0.77) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4203468 0.68 EPHX2 (0.54) CCNE1CDK2CDK5HPGDRAB9A
SCHEMBL6706074 0.68 CCNE1 (1.00) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005560-A1 PRODUCTION METHOD OF DIAMINOPYRIMIDINE COMPOUNDS AJINOMOTO CO. INC (JP) 2009-01-01 US disclosed
EP-2009003-A1 Production method of diaminopyrimidine compounds Ajinomoto Co., Inc. (JP) 2008-12-31 EP 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-20090005560-A1 PRODUCTION METHOD OF DIAMINOPYRIMIDINE COMPOUNDS DPYD, DHPS, UMPS CCNE1 1745/4885CDK2 286/4885CDK5 461/4885

“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.