SCHEMBL4144040

SCHEMBL4144040

CSc1ncc(NC(=O)Cc2ccccc2)c(Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
CDK5 Q00535 2/20 0.51
NTRK1 P04629 1/20 0.50
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
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
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 2/20 0.46
KDM6B O15054 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
KDM4C Q9H3R0 1/20 0.45

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
SCHEMBL4132392 0.80 MEN1 (0.52) LMNATSHRALDH1A1CCNE1CDK2
SCHEMBL4132347 0.80 CCNE1 (0.51) TSHRALDH1A1CCNE1CDK2CDK5
SCHEMBL4132365 0.80 CCNE1 (0.49) TSHRALDH1A1CCNE1CDK2CDK5
SCHEMBL14883473 0.78 THRB (0.50) LMNATSHRALDH1A1HPGDMAPT
SCHEMBL2982013 0.75 MAPT (0.59) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4144046 0.73 NTRK1 (0.51) LMNAALDH1A1NTRK1MAPTKDM4E
SCHEMBL3996305 0.72 SMN1; SMN2 (0.54) LMNATSHRALDH1A1CCNE1CDK2
SCHEMBL11865948 0.71 L3MBTL1 (0.42) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL23331269 0.70 MEN1 (0.64) LMNATSHRALDH1A1HPGDMAPT
SCHEMBL4276535 0.69 MEN1 (0.53) LMNAALDH1A1NTRK1HPGDMAPT

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 LMNA 4718/4885TSHR 4132/4885ALDH1A1 165/4885

“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.