SCHEMBL4132401

SCHEMBL4132401

COc1ncc(NC(C)=O)c(Cl)n1.c1cc2cc-2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
KDR P35968 3/20 0.42
FYN P06241 4/20 0.40
ADORA2A P29274 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3A P31941 1/20 0.39
GFER P55789 1/20 0.39

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 0.81 ADORA3 (0.47) ADORA3ADORA2BADORA1KDRADORA2A
SCHEMBL4144046 0.80 NTRK1 (0.51) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL4132353 0.80 PIK3C3 (0.40) ADORA3ADORA1KDRALDH1A1KDM4E
SCHEMBL4144446 0.74 ADORA3 (0.48) ADORA3ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL4132392 0.73 MEN1 (0.52) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL23331258 0.71 PTK2 (0.43) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19459582 0.69 ABL1 (0.37) ADORA3ALDH1A1KDM4ESMN1; SMN2BRAF
SCHEMBL28742440 0.69 KMT2A (0.59) ALDH1A1KDM4EHSD17B1HSD17B2LMNA
SCHEMBL17773676 0.67 RAB9A (0.37) ALDH1A1KDM4ELMNAMAPTRAB9A
Hydrochloric Acid SCHEMBL4141950 0.66 KDM4E (0.47) ADORA3ADORA2BADORA1KDRADORA2A

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 1282/4885ADORA2B 1044/4885ADORA1 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.