SCHEMBL3300552

SCHEMBL3300552

Cc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 1.00
BRD4 O60885 5/20 0.79
BRDT Q58F21 4/20 0.79
MAPK11 Q15759 2/20 0.79
PRKD3 O94806 1/20 0.73
MAP4K4 O95819 1/20 0.73
HSPB1 P04792 1/20 0.73
PRKCB P05771 1/20 0.73
PRKCA P17252 1/20 0.73
PRKACA P17612 1/20 0.73
CSNK1A1 P48729 1/20 0.73
CSNK1D P48730 1/20 0.73
MINK1 Q8N4C8 1/20 0.73
MAP4K5 Q9Y4K4 1/20 0.73

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
SCHEMBL6943872 0.95 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11PRKD3
SCHEMBL6950475 0.91 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11PRKD3
SCHEMBL7815820 0.90 MAPK14 (0.91) MAPK14BRD4BRDTMAPK11
SCHEMBL6955254 0.90 MAPK14 (0.81) MAPK14BRD4BRDTMAPK11
SCHEMBL6943778 0.89 MAPK14 (1.00) MAPK14BRD4BRDT
Trifluoroacetic Acid SCHEMBL6948788 0.88 MAPK14 (0.87) MAPK14BRD4BRDTMAPK11
SCHEMBL6946459 0.88 MAPK14 (0.79) MAPK14BRD4BRDTMAPK11
SCHEMBL6948107 0.88 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11PRKD3
SCHEMBL6943923 0.88 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL6950953 0.86 MAPK14 (1.00) MAPK14BRD4BRDT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086641-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-08-12 EP claimed
WO-2008049842-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO claimed
US-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US disclosed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US disclosed
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase PROTTER ANDREW A 2008-02-14 US disclosed
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase PROTTER ANDREW A 2008-02-14 US disclosed
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 US disclosed
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 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 (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-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, GRK5, PRKCH MAPK14 71/4885BRD4 2119/4885BRDT 2461/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 MAPK14 23/4885BRD4 1516/4885BRDT 2959/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885BRD4 3147/4885BRDT 2899/4885

“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.