SCHEMBL3522138

SCHEMBL3522138

O=c1c(Br)c(OCc2ccc(F)cc2)ncn1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
ABHD6 Q9BV23 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIN2A Q12879 1/20 0.37
ABHD12 Q8N2K0 1/20 0.37
CYP2D6 P10635 1/20 0.36
MGMT P16455 1/20 0.35

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
SCHEMBL3521839 0.94 HTR2A (0.46) MAPK14HTR2AHTR2CSLC6A4CNR1
SCHEMBL3522839 0.84 MAPK14 (0.57) MAPK14
SCHEMBL5269614 0.81 MAPK14 (0.41) MAPK14HTR2AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL3521994 0.80 MAPK14 (0.40) MAPK14HTR2AHTR2CSLC6A4
SCHEMBL3521867 0.80 MAPK14 (0.53) MAPK14CYP2D6
SCHEMBL4376318 0.80 MAPK14 (0.65) MAPK14SLC6A4GRIA2GRIN2A
SCHEMBL3520846 0.80 MAPK14 (0.65) MAPK14
SCHEMBL3521216 0.79 MAPK14 (0.52) MAPK14CYP2D6
SCHEMBL27683018 0.78 BTK (0.41) MAPK14CYP2D6
SCHEMBL3521789 0.77 MAPK14 (0.50) 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 7 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
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 WO 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 38/4885HTR2A 2026/4885HTR2C 1879/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885HTR2A 2790/4885HTR2C 2139/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885HTR2A 2026/4885HTR2C 1879/4885

“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.