SCHEMBL3520895

SCHEMBL3520895

O=C(O)CCn1cnc(OCc2ccccc2)c(Br)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.46
POLB P06746 4/20 0.46
THRB P10828 2/20 0.46
MAPK14 Q16539 2/20 0.45
THRA P10827 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ESR1 P03372 1/20 0.39
DAPK1 P53355 1/20 0.39
KMO O15229 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3522367 0.90 POLB (0.44) POLBTHRBMAPK14THRATSHR
SCHEMBL3521649 0.88 MAPK14 (0.48) POLBTHRBMAPK14THRAHDAC6
SCHEMBL3527413 0.88 POLB (0.45) POLBTHRBMAPK14TSHRRAB9A
SCHEMBL3521531 0.86 MEN1 (0.47) POLBTHRBMAPK14TSHRRAB9A
SCHEMBL3524527 0.83 MAPK14 (0.60) MAPK14DAPK1KDM4EALDH1A1MEN1
SCHEMBL3524712 0.83 NPSR1 (0.50) POLBTSHRALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3523113 0.83 POLB (0.50) POLBTHRBMAPK14TP53MAPK1
SCHEMBL3526311 0.82 MAPK14 (0.51) MAPK14TSHRRAB9ADAPK1ALDH1A1
Hydrochloric Acid SCHEMBL3523395 0.82 EGFR (0.40) POLBTHRBMAPK14TSHRMAPK1
SCHEMBL3521060 0.82 MAPK14 (0.49) MAPK14TSHRRAB9ANPC1TP53

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-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 EGLN3 3844/4885POLB 1067/4885THRB 1541/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 EGLN3 4096/4885POLB 726/4885THRB 1934/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 EGLN3 3844/4885POLB 1067/4885THRB 1541/4885

“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.