SCHEMBL3049936

SCHEMBL3049936

O=c1c(I)c(OCc2ccccc2)ccn1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 1.00
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GRM2 Q14416 1/20 0.45
EGLN1 Q9GZT9 2/20 0.41
VEGFA P15692 1/20 0.41

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
SCHEMBL4376920 0.87 MAPK14 (0.77) MAPK14SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL4473416 0.84 MAPK14 (1.00) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL12594186 0.83 MAPK14 (0.71) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL1040161 0.82 MAPK14 (0.70) MAPK14GRM2
SCHEMBL4476593 0.82 MAPK14 (1.00) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL4470415 0.82 MAPK14 (1.00) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL4376099 0.81 MAPK14 (0.76) MAPK14SMN1; SMN2ALDH1A1
SCHEMBL22990508 0.81 MAPK14 (0.68) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL271730 0.80 MAPK14 (0.68) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL4390048 0.80 MAPK14 (1.00) MAPK14HTTSMN1; SMN2MEN1ALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US claimed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US claimed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-7674907-B2 Furanopyridine derivatives and methods of use AMGEN INC. (US) 2010-03-09 US disclosed
US-7674907-B2 Furanopyridine derivatives and methods of use AMGEN INC. (US) 2010-03-09 US disclosed
US-7674907-B2 Furanopyridine derivatives and methods of use AMGEN INC. (US) 2010-03-09 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
WO-2006130160-A2 FURANOPYRIDINE DERIVATIVES AS ACK1 AND LCK MODULATORS AMGEN INC. (US) 2006-12-07 WO disclosed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20060046977-A1 Furanopyridine derivatives and methods of use AMGEN INC. 2006-03-02 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
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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 (6 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-20060046977-A1 Furanopyridine derivatives and methods of use LCK, NFATC1, MINK1 MAPK14 2571/4885HTT 4404/4885SMN1; SMN2 2035/4885
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 MAPK14 2910/4885HTT 671/4885SMN1; SMN2 3173/4885
US-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885HTT 4654/4885SMN1; SMN2 1433/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885HTT 4853/4885SMN1; SMN2 4119/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885HTT 4506/4885SMN1; SMN2 1419/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885HTT 4570/4885SMN1; SMN2 1990/4885

“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.