SCHEMBL5111594

SCHEMBL5111594

O=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.69
MEN1 O00255 6/20 0.69
TDP1 Q9NUW8 1/20 0.69
HPGD P15428 3/20 0.55
CYP1A2 P05177 4/20 0.54
POLB P06746 3/20 0.54
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 2/20 0.49
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
PIN1 Q13526 1/20 0.47
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5120588 0.93 TDP1 (0.60) KMT2AMEN1TDP1HPGDCYP1A2
SCHEMBL5117637 0.93 TDP1 (0.60) KMT2AMEN1TDP1HPGDCYP1A2
SCHEMBL5119125 0.91 TDP1 (0.65) KMT2AMEN1TDP1HPGDCYP1A2
SCHEMBL5112148 0.91 TDP1 (0.64) KMT2AMEN1TDP1HPGDCYP1A2
SCHEMBL27725402 0.89 TDP1 (0.56) KMT2AMEN1TDP1HPGDCYP1A2
SCHEMBL5115225 0.89 TDP1 (0.56) KMT2AMEN1TDP1HPGDCYP1A2
SCHEMBL5111974 0.88 TDP1 (0.70) KMT2AMEN1TDP1HPGDCYP1A2
SCHEMBL5119920 0.87 TDP1 (0.66) KMT2AMEN1TDP1HPGDCYP1A2
SCHEMBL5110692 0.87 TDP1 (0.54) KMT2AMEN1TDP1HPGDCYP1A2
SCHEMBL5119450 0.87 TDP1 (0.54) KMT2AMEN1TDP1HPGDCYP1A2

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 6 patents. 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
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US disclosed
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US disclosed
CN-101175731-A Pyrimidine carboxylic acid derivatives and uses thereof BAYER HEALTHCARE AG (DE) 2008-05-07 CN disclosed
EP-1866289-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-12-19 EP disclosed
WO-2006097220-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-09-21 WO 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 KMT2A 3441/4885MEN1 4226/4885TDP1 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.