SCHEMBL3523356

SCHEMBL3523356

NC(=O)c1cccc(Cn2cnc(OCc3ccccc3)c(Br)c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.45
IDO1 P14902 2/20 0.43
YTHDC1 Q96MU7 1/20 0.43
MMP13 P45452 1/20 0.42
PARP10 Q53GL7 2/20 0.41
GLO1 Q04760 2/20 0.41
ADRA1D P25100 1/20 0.40
PPIA P62937 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
DAPK1 P53355 1/20 0.39

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
SCHEMBL3523400 0.89 MMP13 (0.50) MAPK14MMP13PARP10PARP15PARP14
SCHEMBL3524067 0.88 IDO1 (0.56) MAPK14IDO1YTHDC1MMP13PPIA
SCHEMBL3525082 0.85 MAPK14 (0.63) MAPK14
SCHEMBL3524427 0.84 MAPK14 (0.48) MAPK14DAPK1
SCHEMBL3524527 0.84 MAPK14 (0.60) MAPK14DAPK1
SCHEMBL3520672 0.82 MAPK14 (0.51) MAPK14MMP13DAPK1
SCHEMBL3519707 0.82 MAPK14 (0.59) MAPK14DAPK1
SCHEMBL3522176 0.82 MAPK14 (0.53) MAPK14DAPK1
SCHEMBL4390093 0.82 MAPK14 (0.70) MAPK14GLO1PPIA
SCHEMBL3520444 0.82 MAPK14 (0.43) MAPK14PARP10ADRA1DDAPK1

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 MAPK14 38/4885IDO1 1603/4885YTHDC1 4595/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885IDO1 1482/4885YTHDC1 4713/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885IDO1 1603/4885YTHDC1 4595/4885

“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.