SCHEMBL4147456

SCHEMBL4147456

Nc1c[nH]c(-c2ccccc2)nc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
AURKA O14965 1/20 0.44
THRB P10828 1/20 0.44
CASP1 P29466 1/20 0.44
TTK P33981 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
GSK3B P49841 2/20 0.42
XDH P47989 3/20 0.42
CASP6 P55212 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL9696096 0.78 BTK (0.40) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL637805 0.76 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL17398083 0.75 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9696100 0.74 RECQL (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27456927 0.72 MTOR (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1208150 0.71 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28959148 0.71 MTOR (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19233117 0.70 MAPT (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1079995 0.70 ALDH1A1 (0.49) ALDH1A1HPGDAURKACASP1AURKB
SCHEMBL7392387 0.70 KDM4E (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 MAPT 3920/4885MEN1 2530/4885KMT2A 1803/4885

“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.