SCHEMBL4308385

SCHEMBL4308385

C#CC(=O)C(c1ccc(Cl)nn1)c1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GAA P10253 3/20 0.53
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
RIPK1 Q13546 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4318405 0.82 ALDH1A1 (0.46) ALDH1A1GAALMNAKMT2AL3MBTL1
SCHEMBL5402848 0.82 GAA (0.50) ALDH1A1GAALMNAKMT2AL3MBTL1
SCHEMBL13892809 0.81 ALDH1A1 (0.49) ALDH1A1GAALMNAKMT2AL3MBTL1
SCHEMBL23879242 0.78 GAA (0.56) ALDH1A1GAALMNAKMT2ACES2
SCHEMBL30452479 0.78 GAA (0.56) ALDH1A1GAALMNAKMT2ACES2
SCHEMBL4311022 0.75 S1PR3 (0.34) ALDH1A1GAAKMT2ACES2CES1
SCHEMBL5395211 0.70 ALDH1A1 (0.86) ALDH1A1GAALMNAKMT2AL3MBTL1
SCHEMBL23879249 0.70 ALDH1A1 (0.46) ALDH1A1GAALMNAKMT2AL3MBTL1
SCHEMBL23879235 0.69 ALDH1A1 (1.00) ALDH1A1GAALMNAL3MBTL1RIPK1
SCHEMBL30452940 0.69 ALDH1A1 (1.00) ALDH1A1GAALMNAL3MBTL1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088436-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088436-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088436-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-7482345-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2009-01-27 US disclosed
US-7482345-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2009-01-27 US disclosed
US-7482345-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2009-01-27 US disclosed
EP-1963314-A2 P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007067478-A2 P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2007-06-14 WO disclosed
WO-2007067478-A2 P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2007-06-14 WO disclosed
US-20070129372-A1 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-20070129372-A1 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-20070129372-A1 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2007-06-07 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 (2 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-20090088436-A1 P38 Kinase Inhibiting Agents MAPK1, MAPK8, MAPK7 ALDH1A1 1400/4885GAA 1757/4885LMNA 4285/4885
US-20070129372-A1 P38 kinase inhibiting agents MAPK1, MAPK8, MAPK7 ALDH1A1 1400/4885GAA 1757/4885LMNA 4285/4885

“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.