SCHEMBL5114057

SCHEMBL5114057

COc1cc(-c2ncc(C(=O)O)c(Oc3ccccc3Cl)n2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.45
EGFR P00533 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42
PTGER4 P35408 2/20 0.41
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL5125877 0.91 TDP1 (0.56) TDP1MEN1KMT2AEGFRL3MBTL1
SCHEMBL5110787 0.88 CYP1A2 (0.57) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL5289070 0.87 LMNA (0.49) TDP1MEN1KMT2ALMNAL3MBTL1
SCHEMBL5126654 0.87 TDP1 (0.51) TDP1MEN1KMT2ALMNAL3MBTL1
SCHEMBL5117637 0.86 TDP1 (0.60) TDP1MEN1KMT2ALMNAL3MBTL1
SCHEMBL5119450 0.85 TDP1 (0.54) TDP1MEN1KMT2ALMNAL3MBTL1
SCHEMBL5115225 0.84 TDP1 (0.56) TDP1MEN1KMT2ALMNAL3MBTL1
SCHEMBL5111138 0.84 TDP1 (0.48) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5112148 0.84 TDP1 (0.64) TDP1MEN1KMT2ALMNAL3MBTL1
SCHEMBL5111594 0.83 KMT2A (0.69) TDP1MEN1KMT2ALMNAL3MBTL1

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 5 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
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 TDP1 273/4885MEN1 4226/4885KMT2A 3441/4885

“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.