SCHEMBL3523453

SCHEMBL3523453

Cc1nc(OCc2ccc(F)cc2F)cc(=O)n1-c1c(F)cc(N2CCOCC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
PIK3CA P42336 5/20 0.41
AKT1 P31749 2/20 0.41
MTOR P42345 2/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STAT6 P42226 1/20 0.38
F10 P00742 1/20 0.38
PIK3C2B O00750 1/20 0.37

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
SCHEMBL3526477 0.90 MAPK14 (0.63) MAPK14F10
SCHEMBL3521725 0.83 MAPK14 (0.57) MAPK14
SCHEMBL4386767 0.83 MAPK14 (0.57) MAPK14PIK3CAAKT1MTORF10
SCHEMBL3522059 0.83 MAPK14 (0.59) MAPK14
SCHEMBL3522561 0.82 MAPK14 (0.59) MAPK14
SCHEMBL3527353 0.82 MAPK14 (0.57) MAPK14
SCHEMBL3523668 0.78 MAPK14 (0.47) MAPK14
SCHEMBL4389992 0.77 MAPK14 (0.82) MAPK14
SCHEMBL3523601 0.74 MAPK14 (0.43) MAPK14
SCHEMBL3524019 0.73 MAPK14 (0.71) 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 38/4885PIK3CA 442/4885AKT1 68/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885PIK3CA 595/4885AKT1 71/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885PIK3CA 442/4885AKT1 68/4885

“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.