SCHEMBL4006345

SCHEMBL4006345

COc1ncc(NC(=O)Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
EGLN1 Q9GZT9 1/20 0.51
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
TSHR P16473 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL4019341 0.83 NPC1 (0.52) SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL4001461 0.80 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AEGLN1ALDH1A1
SCHEMBL3996305 0.80 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AEGLN1ALDH1A1MAPT
SCHEMBL4006319 0.80 EGLN1 (0.58) SMN1; SMN2MEN1KMT2AEGLN1ALDH1A1
SCHEMBL4132392 0.72 MEN1 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL6169172 0.71 MEN1 (0.83) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL11306557 0.69 HPGD (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL8692725 0.68 BRD4 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL31324947 0.67 KDM4E (0.74) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL13936057 0.67 KDM4E (0.74) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090171084-A1 PRODUCTION METHOD OF AMINOPYRIMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2009-07-02 US claimed
US-7491822-B2 Production method of aminopyrimidine compound AJINOMOTO CO., INC. (JP) 2009-02-17 US claimed
US-20050215789-A1 Production method of aminopyrimidine compound AJINOMOTO CO., INC. (JP) 2005-09-29 US claimed
EP-1577304-A1 Production method of aminopyrimidine compound Ajinomoto Co., Inc. (JP) 2005-09-21 EP claimed
US-20090171084-A1 PRODUCTION METHOD OF AMINOPYRIMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2009-07-02 US disclosed
US-7491822-B2 Production method of aminopyrimidine compound AJINOMOTO CO., INC. (JP) 2009-02-17 US disclosed
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
US-20050215789-A1 Production method of aminopyrimidine compound AJINOMOTO CO., INC. (JP) 2005-09-29 US disclosed
EP-1577304-A1 Production method of aminopyrimidine compound Ajinomoto Co., Inc. (JP) 2005-09-21 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 (3 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 SMN1; SMN2 2471/4885MEN1 2530/4885KMT2A 1803/4885
US-20050215789-A1 Production method of aminopyrimidine compound AZI2, DPYD, DHPS SMN1; SMN2 1648/4885MEN1 177/4885KMT2A 1519/4885
US-20090171084-A1 PRODUCTION METHOD OF AMINOPYRIMIDINE COMPOUND AZI2, DPYD, DHPS SMN1; SMN2 1648/4885MEN1 177/4885KMT2A 1519/4885

“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.