SCHEMBL4019038

SCHEMBL4019038

Cc1ncc(NC(=O)OCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ CASP3 P42574 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ROCK2 O75116 2/20 0.46
▸ MAOB P27338 1/20 0.46
▸ ELANE P08246 1/20 0.45
▸ MGLL Q99685 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ BRAF P15056 1/20 0.43

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 0.85 NPC1 (0.52) NPC1RAB9ACASP3POLBSMN1; SMN2
SCHEMBL4027749 0.84 TNKS (0.51) NPC1RAB9ACASP3POLBROCK2
SCHEMBL7297119 0.82 NPC1 (0.48) NPC1RAB9ACASP3POLBSMN1; SMN2
SCHEMBL7434551 0.82 NPC1 (0.48) NPC1RAB9ACASP3POLBSMN1; SMN2
SCHEMBL8405738 0.81 NPC1 (0.48) NPC1RAB9ACASP3POLBSMN1; SMN2
SCHEMBL4416727 0.81 NPC1 (0.62) NPC1RAB9ACASP3POLBSMN1; SMN2
SCHEMBL8405271 0.81 NPC1 (0.53) NPC1RAB9ACASP3POLBSMN1; SMN2
SCHEMBL8401492 0.81 NPC1 (0.47) NPC1RAB9ACASP3POLBSMN1; SMN2
SCHEMBL8401415 0.80 NPC1 (0.52) NPC1RAB9ACASP3POLBSMN1; SMN2
SCHEMBL8404944 0.79 NPC1 (0.46) NPC1RAB9ACASP3POLBSMN1; SMN2

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.

Send feedback