SCHEMBL4487929

SCHEMBL4487929

O=c1c(Br)c(OCc2ccccc2)ccn1CC1CCCNC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.58
SLC6A4 P31645 2/20 0.39
GRM2 Q14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 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
Hydrochloric Acid SCHEMBL4385360 0.99 MAPK14 (0.57) MAPK14SLC6A4GRM2HTR2AHTR2C
SCHEMBL6109063 0.87 MAPK14 (0.62) MAPK14SLC6A4GRM2HTR1ASLC6A2
Hydrochloric Acid SCHEMBL4385176 0.86 MAPK14 (0.61) MAPK14SLC6A4GRM2HTR1ASLC6A2
SCHEMBL1037340 0.85 MAPK14 (0.70) MAPK14GRM2
SCHEMBL3518367 0.82 MAPK14 (0.38) MAPK14SLC6A4HTR2AHTR2C
Hydrochloric Acid SCHEMBL3525831 0.82 MAPK14 (0.38) MAPK14SLC6A4HTR2AHTR2C
SCHEMBL27602597 0.77 MAPK14 (0.52) MAPK14GRM2
SCHEMBL4469661 0.76 MAPK14 (0.61) MAPK14SLC6A4GRM2HTR2AHTR2C
SCHEMBL27602666 0.76 MAPK14 (0.56) MAPK14GRM2
SCHEMBL4376318 0.74 MAPK14 (0.65) MAPK14SLC6A4GRM2HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
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 (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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885SLC6A4 2952/4885GRM2 1349/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885SLC6A4 2452/4885GRM2 1436/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885SLC6A4 3383/4885GRM2 1578/4885

“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.