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SCHEMBL3405504

SCHEMBL3405504

Cc1ccc(NC(=O)c2ccoc2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.48
▸ KCNK3 O14649 1/20 0.48
▸ KCNK9 Q9NPC2 1/20 0.48
▸ MAPK14 Q16539 7/20 0.46
▸ HSPB1 P04792 1/20 0.46
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CXCR2 P25025 2/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LCK P06239 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ FKBP5 Q13451 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ P2RY14 Q15391 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
SCHEMBL13197996 0.84 NPC1 (0.57) RAB9AKCNK3KCNK9CA1CA2
SCHEMBL16533843 0.84 KMT2A (0.46) RAB9AKCNK3KCNK9CA1CA2
SCHEMBL25984051 0.81 ABL1 (0.45) RAB9AMAPK14CA1CA2CA9
SCHEMBL13390574 0.81 KCNQ3 (0.51) RAB9ACA1CA2CA9CXCR2
SCHEMBL2719282 0.80 KMT2A (0.54) RAB9AKCNK3KCNK9MAPK14CA1
SCHEMBL16516546 0.80 CASP3 (0.52) RAB9ANPC1KMT2ASMN1; SMN2PKM
SCHEMBL12797362 0.79 ALDH1A1 (0.43) RAB9ACA1CA2CA9NPC1
SCHEMBL13546243 0.79 KCNK3 (0.60) RAB9AKCNK3KCNK9MAPK14HSPB1
SCHEMBL19529424 0.79 CNR1 (0.55) RAB9AKCNK3KCNK9NPC1KMT2A
SCHEMBL16035171 0.78 LMNA (0.61) RAB9ANPC1SMN1; SMN2

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 28 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-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS ASTON NICOLA MARY 2010-08-26 — — US disclosed
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION 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-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 — — US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 — — 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 RAB9A 1260/4885KCNK3 3802/4885KCNK9 3641/4885
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 RAB9A 806/4885KCNK3 4202/4885KCNK9 4277/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 RAB9A 1582/4885KCNK3 4334/4885KCNK9 3816/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 RAB9A 1582/4885KCNK3 4334/4885KCNK9 3816/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 RAB9A 1389/4885KCNK3 4434/4885KCNK9 4006/4885

“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.