SCHEMBL1643694

SCHEMBL1643694

CC(C)(C)C(=O)Nc1cnccc1C(=O)c1ccc(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ PYGL P06737 3/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 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
SCHEMBL1643097 0.89 TSHR (0.41) TSHRMAPK14ALDH1A1RAB9AKMT2A
SCHEMBL1644026 0.84 TSHR (0.51) HPGDTSHRALDH1A1LMNAMEN1
SCHEMBL1642054 0.81 NPSR1 (0.46) TSHRALDH1A1GAAMEN1RAB9A
SCHEMBL1642078 0.78 NR3C2 (0.38) HPGDTSHRALDH1A1POLBGSK3A
SCHEMBL1643811 0.75 TSHR (0.49) TSHRLMNAGAAMEN1RAB9A
SCHEMBL1643182 0.75 KDM4C (0.56) TSHRLMNAMEN1RAB9AKMT2A
SCHEMBL1642051 0.74 KDM4E (0.50) HPGDMAPK13MAPK12MAPK11MAPK14
SCHEMBL18421178 0.74 TSHR (0.49) TSHRALDH1A1GAARAB9AKDM4E
SCHEMBL2829217 0.73 EGFR (0.39) HPGDMAPK13MAPK12MAPK11MAPK14
SCHEMBL2081210 0.73 NPC1 (0.43) TSHRALDH1A1RAB9ANPC1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334294-B2 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL, S.A. (ES) 2012-12-18 — — US disclosed
EP-2146988-B1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL SA (ES) 2012-08-15 — — EP disclosed
US-20110098298-A1 New Pyridin-3-Amine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2011-04-28 — — US disclosed
US-7906530-B2 1,7-naphthyridine derivatives as p38 MAP kinase inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2011-03-15 — — US disclosed
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-09 — — US disclosed
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 — — US disclosed
EP-2146988-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES Almirall, S.A. (ES) 2010-01-27 — — EP disclosed
EP-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 — — EP disclosed
WO-2008131922-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2008-11-06 — — WO disclosed
EP-1987005-A2 NEW PYRIDIN-3-AMINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-11-05 — — EP disclosed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 — — WO disclosed
WO-2007096072-A2 NEW PYRIDIN-3-AMINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-30 — — 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 (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-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES MAPK8, MAPK4, MAP3K8 HPGD 807/4885TSHR 4381/4885MAPK13 23/4885
US-20110098298-A1 New Pyridin-3-Amine Derivatives MAPK1, MAP4K2, MAPK3 HPGD 954/4885TSHR 2942/4885MAPK13 35/4885
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 HPGD 476/4885TSHR 4026/4885MAPK13 38/4885

“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.

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