SCHEMBL4019341

SCHEMBL4019341

COc1ncc(NC(=O)OCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CASP3 P42574 1/20 0.46
POLB P06746 1/20 0.46
TACR3 P29371 1/20 0.45
ROCK2 O75116 2/20 0.45
MAOB P27338 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.43
ELANE P08246 3/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL7434551 0.86 NPC1 (0.48) NPC1RAB9ACASP3POLBROCK2
SCHEMBL4019038 0.85 NPC1 (0.58) NPC1RAB9ACASP3POLBROCK2
SCHEMBL7333977 0.84 NPC1 (0.46) NPC1RAB9ACASP3ELANE
SCHEMBL4006345 0.83 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4027749 0.82 TNKS (0.51) NPC1RAB9ACASP3POLBTACR3
SCHEMBL7297119 0.80 NPC1 (0.48) NPC1RAB9ACASP3POLBROCK2
SCHEMBL8401148 0.80 TACR3 (0.46) NPC1RAB9ACASP3TACR3SMN1; SMN2
SCHEMBL8404944 0.77 NPC1 (0.46) NPC1RAB9ACASP3POLBROCK2
SCHEMBL8405738 0.77 NPC1 (0.48) NPC1RAB9ACASP3POLBROCK2
SCHEMBL8401492 0.76 NPC1 (0.47) NPC1RAB9ACASP3POLBROCK2

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 7 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-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 (2 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-20050209257-A1 5-Protected aminopyrimidine compound, production method thereof and intermediate therefor DPYD, DHPS, DHFR NPC1 4498/4885RAB9A 3465/4885CASP3 3266/4885
US-20090137803-A1 5-PROTECTED AMINOPYRIMIDINE COMPOUND, PRODUCTION METHOD THEREOF AND INTERMEDIATE THEREFOR DPYD, DHPS, DHFR NPC1 4498/4885RAB9A 3465/4885CASP3 3266/4885

“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.