SCHEMBL5115261

SCHEMBL5115261

O=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
TDP1 Q9NUW8 1/20 0.82
CYP1A2 P05177 5/20 0.70
CYP2C9 P11712 3/20 0.70
CYP2C19 P33261 3/20 0.70
POLB P06746 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
ALDH1A1 P00352 4/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.51
CYP3A4 P08684 1/20 0.50
MAPT P10636 3/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL5125025 0.87 MEN1 (0.76) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL29050110 0.83 KMT2A (0.71) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5126068 0.83 KMT2A (0.71) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5118637 0.82 KMT2A (0.69) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5111594 0.82 KMT2A (0.69) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5126454 0.82 KMT2A (0.69) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL6878646 0.80 KMT2A (0.66) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5119920 0.80 TDP1 (0.66) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5127183 0.80 KMT2A (0.67) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL1866527 0.80 MEN1 (0.65) MEN1KMT2ATDP1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US 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-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof DPYD, TYMP, TYMS MEN1 4226/4885KMT2A 3441/4885TDP1 273/4885

“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.