SCHEMBL3522209

SCHEMBL3522209

NC(=NO)c1ccc(Cn2cnc(OCc3ccccc3)c(Br)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
DAPK1 P53355 1/20 0.43
RECQL P46063 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP13 P45452 4/20 0.39
HDAC1 Q13547 1/20 0.38
SCD O00767 1/20 0.37
LMNA P02545 1/20 0.36
PARP10 Q53GL7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3522206 1.00 MAPK14 (0.46) MAPK14DAPK1RECQLMAPK10SMN1; SMN2
SCHEMBL3523400 0.88 MMP13 (0.50) MAPK14DAPK1RECQLMAPK10SMN1; SMN2
SCHEMBL3520672 0.86 MAPK14 (0.51) MAPK14DAPK1RECQLMAPK10SMN1; SMN2
SCHEMBL3524527 0.85 MAPK14 (0.60) MAPK14DAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL3522176 0.83 MAPK14 (0.53) MAPK14DAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL3522304 0.83 MAPK14 (0.55) MAPK14DAPK1LMNAALDH1A1TSHR
SCHEMBL3522825 0.82 MAPK14 (0.54) MAPK14DAPK1SMN1; SMN2SCDLMNA
SCHEMBL3524246 0.82 MAPK14 (0.54) MAPK14DAPK1SMN1; SMN2SCDLMNA
SCHEMBL3522210 0.82 MAPK14 (0.47) MAPK14DAPK1RECQLMAPK10SMN1; SMN2
SCHEMBL4376172 0.82 MAPK14 (0.72) MAPK14SMN1; SMN2ALDH1A1HPGD

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 38/4885DAPK1 553/4885RECQL 721/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885DAPK1 682/4885RECQL 1164/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885DAPK1 553/4885RECQL 721/4885

“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.