SCHEMBL1643811

SCHEMBL1643811

COc1ccccc1C(=O)c1ccncc1NC(=O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ AHR P35869 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGS1 P23219 2/20 0.42

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
SCHEMBL1644026 0.82 TSHR (0.51) TSHRKDM4ELMNASMN1; SMN2PDK1
SCHEMBL1643182 0.81 KDM4C (0.56) TSHRKDM4ELMNASMN1; SMN2PDK1
SCHEMBL1643191 0.77 KDM4E (0.46) TSHRKDM4ELMNAALOX12MAPT
SCHEMBL1643097 0.76 TSHR (0.41) TSHRKDM4ENPC1RAB9AKMT2A
SCHEMBL1030263 0.75 LMNA (0.74) KDM4ELMNAALOX12MAPTSMN1; SMN2
SCHEMBL1643892 0.75 ALDH1A1 (0.56) TSHRKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL1643694 0.75 HPGD (0.40) TSHRKDM4ELMNASMN1; SMN2POLB
SCHEMBL18421178 0.74 TSHR (0.49) TSHRKDM4ESMN1; SMN2NPC1GAA
SCHEMBL1643403 0.73 NT5E (0.47) TSHRKDM4ELMNASMN1; SMN2POLB
SCHEMBL9199507 0.72 TSHR (0.54) TSHRKDM4ELMNAALOX12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 — — EP 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 (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-20110098298-A1 New Pyridin-3-Amine Derivatives MAPK1, MAP4K2, MAPK3 TSHR 2942/4885KDM4E 2470/4885LMNA 1614/4885
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 TSHR 4026/4885KDM4E 4589/4885LMNA 1418/4885

“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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