SCHEMBL4132373

SCHEMBL4132373

CC(=O)Nc1cnc(-c2ccccc2)nc1Cl.c1cc2cc-2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.47
ADORA1 P30542 3/20 0.47
ADORA2A P29274 1/20 0.47
MAPT P10636 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HDAC1 Q13547 2/20 0.46
APOBEC3A P31941 1/20 0.46
GFER P55789 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KDR P35968 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
TP53 P04637 2/20 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
SCHEMBL4144446 0.95 ADORA3 (0.48) ADORA3ADORA1ADORA2AMAPTMEN1
Hydrochloric Acid SCHEMBL4141950 0.82 KDM4E (0.47) ADORA3ADORA1ADORA2AMAPTMEN1
SCHEMBL4132353 0.81 PIK3C3 (0.40) ADORA3ADORA1MAPTALDH1A1HPGD
SCHEMBL4132401 0.81 ADORA3 (0.43) ADORA3ADORA1ADORA2AMAPTALDH1A1
SCHEMBL4144046 0.81 NTRK1 (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4154866 0.79 ALDH1A1 (0.52) ADORA3ADORA1ADORA2AMAPTMEN1
Hydrochloric Acid SCHEMBL4144570 0.77 EGFR (0.50) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4132365 0.76 CCNE1 (0.49) ADORA3MEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL4132360 0.76 ADORA3 (0.46) ADORA3ADORA1ADORA2AMAPTMEN1
SCHEMBL4141440 0.73 NPC1 (0.50) SMN1; SMN2NPC1RAB9APOLB

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 1282/4885ADORA1 1725/4885ADORA2A 1113/4885

“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.