SCHEMBL4027749

SCHEMBL4027749

O=C(Nc1cnc(-c2ccccc2)[nH]c1=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.51
TNKS2 Q9H2K2 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ROCK2 O75116 2/20 0.48
MGLL Q99685 2/20 0.48
PTPN1 P18031 1/20 0.47
CASP3 P42574 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4019038 0.84 NPC1 (0.58) NPC1RAB9AROCK2MGLLPTPN1
SCHEMBL4019341 0.82 NPC1 (0.52) NPC1RAB9AROCK2MGLLCASP3
SCHEMBL7297119 0.81 NPC1 (0.48) TNKSTNKS2NPC1RAB9AROCK2
SCHEMBL6556065 0.79 NPC1 (0.53) NPC1RAB9AROCK2MGLLPTPN1
SCHEMBL7434551 0.78 NPC1 (0.48) NPC1RAB9AROCK2PTPN1CASP3
SCHEMBL8401224 0.77 POLB (0.52) NPC1RAB9AROCK2CASP3HDAC3
SCHEMBL8403661 0.76 TRPV1 (0.46) NPC1RAB9AROCK2CASP3POLB
SCHEMBL8404944 0.76 NPC1 (0.46) NPC1RAB9AROCK2PTPN1CASP3
SCHEMBL8405738 0.76 NPC1 (0.48) TNKSTNKS2NPC1RAB9AROCK2
SCHEMBL7292933 0.76 MGLL (0.44) NPC1RAB9AROCK2MGLLCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137803-A1 5-PROTECTED AMINOPYRIMIDINE COMPOUND, PRODUCTION METHOD THEREOF AND INTERMEDIATE THEREFOR AJINOMOTO CO., INC. (JP) 2009-05-28 US claimed
US-20050209257-A1 5-Protected aminopyrimidine compound, production method thereof and intermediate therefor AJINOMOTO CO., INC. (JP) 2005-09-22 US claimed
EP-1577303-A1 5-protected aminopyrimidine compound, production method thereof and intermediate thereof Ajinomoto Co., Inc. (JP) 2005-09-21 EP claimed
US-20090137803-A1 5-PROTECTED AMINOPYRIMIDINE COMPOUND, PRODUCTION METHOD THEREOF AND INTERMEDIATE THEREFOR AJINOMOTO CO., INC. (JP) 2009-05-28 US disclosed
US-7507738-B2 5-protected aminopyrimidine compound, production method thereof and intermediate therefor AJINOMOTO CO., INC. (JP) 2009-03-24 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-20050209257-A1 5-Protected aminopyrimidine compound, production method thereof and intermediate therefor AJINOMOTO CO., INC. (JP) 2005-09-22 US disclosed
EP-1577303-A1 5-protected aminopyrimidine compound, production method thereof and intermediate thereof 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 TNKS 910/4885TNKS2 698/4885NPC1 4115/4885
US-20050209257-A1 5-Protected aminopyrimidine compound, production method thereof and intermediate therefor DPYD, DHPS, DHFR TNKS 799/4885TNKS2 1051/4885NPC1 4498/4885
US-20090137803-A1 5-PROTECTED AMINOPYRIMIDINE COMPOUND, PRODUCTION METHOD THEREOF AND INTERMEDIATE THEREFOR DPYD, DHPS, DHFR TNKS 799/4885TNKS2 1051/4885NPC1 4498/4885

“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.