SCHEMBL3404793

SCHEMBL3404793

Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.54
KCNQ3 O43525 3/20 0.52
KCNQ2 O43526 3/20 0.52
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
KCNE1 P15382 2/20 0.49
KCNQ1 P51787 2/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
RAF1 P04049 1/20 0.46
KCNQ5 Q9NR82 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL13546240 0.88 KCNQ3 (0.63) MAPK14KCNQ3KCNQ2CA12CA9
SCHEMBL2306227 0.82 RAB9A (0.67) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL27598483 0.81 CA12 (0.48) MAPK14KCNQ3KCNQ2CA12CA9
SCHEMBL21624459 0.81 NPC1 (0.56) NPC1RAB9ALMNASMN1; SMN2RAF1
SCHEMBL30017275 0.81 NPC1 (0.56) NPC1RAB9ALMNASMN1; SMN2RAF1
SCHEMBL4827723 0.80 MAPT (0.60) MAPK14NPC1RAB9ALMNASMN1; SMN2
SCHEMBL31524100 0.80 MAPT (0.60) MAPK14NPC1RAB9ALMNASMN1; SMN2
SCHEMBL5897217 0.80 LMNA (0.55) KCNQ3KCNQ2CA12CA9KCNE1
SCHEMBL28503327 0.79 NPC1 (0.56) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL259371 0.78 KMT2A (0.66) NPC1RAB9ALMNASMN1; SMN2KCNH2

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-8575204-B2 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
EP-2258687-B1 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8252818-B2 Nicotinamide derivatives useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-08-28 US disclosed
EP-2258687-A1 Nicotinamide derivates useful as P38 inhibitors Glaxosmithkline LLC (US) 2010-12-08 EP disclosed
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-08-26 US disclosed
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS ASTON NICOLA MARY 2010-08-26 US disclosed
US-7709506-B2 Nicotinamide derivatives useful as p38 inhibitors GLAXOSMITHKLINE LLC (US) 2010-05-04 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7514456-B2 Nicotinamide derivatives useful as p38 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
US-7125898-B2 Nicotinamide derivatives useful as p38 inhibitors. SMITHKLINE BEECHAM CORPORATION (US) 2006-10-24 US disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 US disclosed
US-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2006-04-27 US disclosed
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors GLAXOSMITHKLINE LLC 2005-08-11 US disclosed
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
EP-1499600-A1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-26 EP disclosed
EP-1474395-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-10 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed
WO-2003093248-A1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-11-13 WO disclosed
WO-2003068747-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 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 (5 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-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors MAPK1, MAPK7, MAP3K1 MAPK14 8/4885KCNQ3 4687/4885KCNQ2 4392/4885
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 MAPK14 11/4885KCNQ3 4804/4885KCNQ2 4646/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 MAPK14 12/4885KCNQ3 4809/4885KCNQ2 4476/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 MAPK14 12/4885KCNQ3 4809/4885KCNQ2 4476/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 MAPK14 10/4885KCNQ3 4833/4885KCNQ2 4541/4885

“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.