SCHEMBL6801619

SCHEMBL6801619

Nc1cnc(Cc2ccccc2)n(CC(=O)O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
AKR1B10 O60218 3/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
APEX1 P27695 1/20 0.41
CTRC Q99895 5/20 0.41
CMA1 P23946 4/20 0.41
ELANE P08246 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
SCHEMBL6239360 0.78 CMA1 (0.53) KDM4ECTRCCMA1ELANE
SCHEMBL6803058 0.78 NPC1 (0.41) TSHRAKR1B10KDM4EALDH1A1HPGD
SCHEMBL6804111 0.77 CMA1 (0.53) KDM4ECTRCCMA1ELANE
Hydrochloric Acid SCHEMBL6805327 0.77 CMA1 (0.53) KDM4ECTRCCMA1ELANE
SCHEMBL2801401 0.77 APEX1 (0.44) TSHRKDM4EALDH1A1HPGDAPEX1
SCHEMBL6800734 0.74 GAA (0.40) AKR1B10KDM4EALDH1A1HPGDAPEX1
SCHEMBL6804164 0.74 CMA1 (0.48) CTRCCMA1ELANE
SCHEMBL6805699 0.71 CMA1 (0.52) CTRCCMA1
SCHEMBL30765971 0.71 POLB (0.38) KDM4EALDH1A1HPGDAPEX1CTRC
SCHEMBL11556278 0.71 TSHR (0.47) TSHRAKR1B10KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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 (1 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-20040063936-A1 Pyrimidine derivatives and process for preparing the same DPYD, NUDT1, UMPS TSHR 3337/4885AKR1B10 497/4885KDM4E 1106/4885

“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.