SCHEMBL4144446

SCHEMBL4144446

CC(=O)Nc1cnc(-c2ccccc2)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ADORA1 P30542 2/20 0.48
ADORA2A P29274 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
NTRK1 P04629 1/20 0.43

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
SCHEMBL4132373 0.95 ADORA3 (0.47) ADORA3SMN1; SMN2ADORA1ADORA2AL3MBTL1
SCHEMBL4154866 0.84 ALDH1A1 (0.52) ADORA3SMN1; SMN2ADORA1ADORA2AL3MBTL1
SCHEMBL4132365 0.81 CCNE1 (0.49) ADORA3SMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4132360 0.80 ADORA3 (0.46) ADORA3SMN1; SMN2ADORA1ADORA2AL3MBTL1
SCHEMBL4141440 0.78 NPC1 (0.50) SMN1; SMN2NPC1RAB9APOLB
Hydrochloric Acid SCHEMBL4141950 0.76 KDM4E (0.47) ADORA3SMN1; SMN2ADORA1ADORA2AL3MBTL1
SCHEMBL23331258 0.76 PTK2 (0.43) L3MBTL1MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4140741 0.75 APP (0.53) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4132401 0.74 ADORA3 (0.43) ADORA3SMN1; SMN2ADORA1ADORA2AALDH1A1
SCHEMBL4132353 0.74 PIK3C3 (0.40) ADORA3SMN1; SMN2ADORA1ALDH1A1MAPT

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 ADORA3 1282/4885SMN1; SMN2 2471/4885ADORA1 1725/4885

“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.