SCHEMBL6501142

SCHEMBL6501142

CN(C)CCNCc1c[nH]c2ccc(Cn3ccc(OCc4ccc(F)cc4F)c(Cl)c3=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.44
HTR1A P08908 2/20 0.41
HTR2C P28335 2/20 0.41
MPO P05164 2/20 0.37
S1PR1 P21453 1/20 0.37
SLC6A4 P31645 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL6501146 0.90 MAPK14 (0.46) MAPK14MPOSLC6A4SMN1; SMN2KMT2A
SCHEMBL6506364 0.89 MAPK14 (0.51) MAPK14MPO
SCHEMBL6501011 0.89 MAPK14 (0.49) MAPK14HTR1AHTR2C
SCHEMBL6501554 0.82 MAPK14 (0.48) MAPK14MPOSMN1; SMN2
SCHEMBL6499650 0.81 MAPK14 (0.47) MAPK14MPOSMN1; SMN2
SCHEMBL6501549 0.81 MAPK14 (0.48) MAPK14
Hydrochloric Acid SCHEMBL6505200 0.80 MAPK14 (0.46) MAPK14MPO
SCHEMBL6505787 0.80 MAPK14 (0.46) MAPK14HTR1AMPO
Hydrochloric Acid SCHEMBL6508636 0.80 MAPK14 (0.46) MAPK14MPO
SCHEMBL6499904 0.78 VEGFA (0.48) MAPK14MPO

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US claimed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO claimed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 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 (1 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-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885HTR1A 406/4885HTR2C 1015/4885

“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.