SCHEMBL3522952

SCHEMBL3522952

Cc1cccc(C)c1-n1c(C)nc(OCc2c(F)cccc2F)c(Br)c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.46
PDE7A Q13946 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE7B Q9NP56 1/20 0.37
PTGER1 P34995 2/20 0.36
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3526113 0.92 MAPK14 (0.51) MAPK14PTGER1
SCHEMBL3523709 0.89 MAPK14 (0.48) MAPK14PKM
SCHEMBL3520520 0.85 MAPK14 (0.51) MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL3522634 0.84 MAPK14 (0.68) MAPK14
SCHEMBL3525531 0.81 MAPK14 (0.47) MAPK14PDE7APDE4APDE4BPDE4C
SCHEMBL3526202 0.78 MAPK14 (0.41) MAPK14PDE7APDE4APDE4BPDE4C
SCHEMBL3523334 0.78 MAPK14 (0.67) MAPK14
SCHEMBL4379376 0.78 MAPK14 (0.72) MAPK14
SCHEMBL3524281 0.76 MAPK14 (0.37) MAPK14PTGER1PKM
SCHEMBL3522797 0.75 MAPK14 (0.56) MAPK14

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 38/4885PDE7A 211/4885PDE4A 385/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885PDE7A 214/4885PDE4A 463/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885PDE7A 211/4885PDE4A 385/4885

“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.