SCHEMBL5728832

SCHEMBL5728832

O=C(Cc1ccccc1)Nc1cnc(-c2ccccc2)n(CC(=O)ON2C(=O)CCC2=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP1 P29466 1/20 0.40
CNR2 P34972 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 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
SCHEMBL5728516 0.87 ELANE (0.46) ELANECASP1
SCHEMBL5729023 0.83 ELANE (0.52) ELANEMEN1KMT2ACASP1CNR2
SCHEMBL6178282 0.82 ELANE (0.51) ELANEMEN1KMT2ACNR2
SCHEMBL5728831 0.78 ELANE (0.42) ELANEMEN1KMT2ACASP1
SCHEMBL5728765 0.77 ELANE (0.55) ELANECASP1
SCHEMBL6558393 0.74 CTRC (0.68) ELANE
SCHEMBL2450503 0.71 KMT2A (0.57) KMT2A
SCHEMBL6085435 0.70 ELANE (0.67) ELANECASP1
SCHEMBL5728354 0.69 ELANE (0.61) ELANE
SCHEMBL5728202 0.69 ELANE (0.54) ELANECASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270850-A1 Processes for preparation of pyrimidine derivatives and intermediates AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1695967-A1 PROCESSES FOR PRODUCTION OF PYRIMIDINE DERIVATIVES AND INTERMEDIATES Ajinomoto Co., Inc. (JP) 2006-08-30 EP disclosed
US-20050176966-A1 Process for the preparation of pyrimidine derivative, intermediate therefor and process for the preparation thereof AJINOMOTO CO., INC. (JP) 2005-08-11 US disclosed
EP-1529778-A1 Production method of pyrimidine derivative, intermediate therefor Ajinomoto Co., Inc. (JP) 2005-05-11 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-20050176966-A1 Process for the preparation of pyrimidine derivative, intermediate therefor and process for the preparation thereof DPYD, WEE1, DCXR ELANE 4520/4885MEN1 1538/4885KMT2A 2880/4885
US-20060270850-A1 Processes for preparation of pyrimidine derivatives and intermediates PDXK, RNASEL, DPYD ELANE 4219/4885MEN1 3414/4885KMT2A 1807/4885

“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.