SCHEMBL4154866

SCHEMBL4154866

CC(=O)Nc1cnc(-c2ccccc2)nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 4/20 0.49
ADORA3 P0DMS8 3/20 0.49
ADORA1 P30542 3/20 0.49
ADORA2A P29274 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 4/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL4144446 0.84 ADORA3 (0.48) ALDH1A1MAPTSMN1; SMN2NPC1TP53
Hydrochloric Acid SCHEMBL4132360 0.81 ADORA3 (0.46) ALDH1A1MAPTSMN1; SMN2HDAC1HDAC3
SCHEMBL4132373 0.79 ADORA3 (0.47) ALDH1A1MAPTSMN1; SMN2NPC1TP53
Hydrochloric Acid SCHEMBL4141950 0.77 KDM4E (0.47) ALDH1A1MAPTSMN1; SMN2NPC1TP53
Hydrochloric Acid SCHEMBL4140741 0.76 APP (0.53) ALDH1A1MAPTSMN1; SMN2RAB9AHDAC1
SCHEMBL22573595 0.75 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2NPC1TP53
SCHEMBL22573798 0.75 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1TP53
SCHEMBL5264050 0.74 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2NPC1TP53
SCHEMBL27664415 0.73 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2NPC1TP53
SCHEMBL4560197 0.73 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2NPC1TP53

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 ALDH1A1 165/4885MAPT 3920/4885SMN1; SMN2 2471/4885

“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.