SCHEMBL6804076

SCHEMBL6804076

Cc1ccc(C(C(=O)O)n2cncc(N)c2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRA1 P14867 5/20 0.34
GABRB2 P47870 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCB11 O95342 1/20 0.34
GABRA2 P47869 1/20 0.34
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.32
MDM2 Q00987 2/20 0.32
CYP19A1 P11511 2/20 0.32
CYP26A1 O43174 1/20 0.32
F2 P00734 1/20 0.31

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
SCHEMBL6805605 0.87 ALDH1A1 (0.44) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL6804116 0.86 ALDH1A1 (0.43) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL6804327 0.82 CYP19A1 (0.39) ALDH1A1TDP1CYP3A4LMNACYP19A1
SCHEMBL6805808 0.76 SMN1; SMN2 (0.47) ALDH1A1TDP1LMNAPOLBTP53
SCHEMBL6805197 0.74 MAPK1 (0.38) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL6905491 0.74 GABRA1 (0.40) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL6803128 0.73 GRM8 (0.40) ALDH1A1TDP1TP53KMT2A
SCHEMBL6805705 0.70 SMN1; SMN2 (0.49) LMNAMAPK1CYP19A1KMT2AALOX5
SCHEMBL6806534 0.67 ALDH1A1 (0.41) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL6805321 0.65 IDO1 (0.47) ALDH1A1TDP1CYP1A2CYP3A4CYP2C9

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-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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 ALDH1A1 134/4885TDP1 316/4885GABRA1 2929/4885

“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.