SCHEMBL487975

SCHEMBL487975

COc1cccc(COc2cc(-c3ccccc3)cnc2N)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 1/20 0.60
MAP4K4 O95819 1/20 0.58
MAOB P27338 5/20 0.54
FYN P06241 5/20 0.52
HTR1A P08908 3/20 0.51
DRD2 P14416 3/20 0.51
ABCB1 P08183 3/20 0.51
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MET P08581 1/20 0.47

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
SCHEMBL30453441 1.00 MAP4K3 (0.60) MAP4K3MAP4K4MAOBFYNHTR1A
SCHEMBL488178 0.85 MAP4K4 (0.75) MAP4K3MAP4K4MAOBFYNMET
SCHEMBL15338674 0.82 MAP4K4 (0.60) MAP4K3MAP4K4FYNIDO1AGXT
SCHEMBL487837 0.81 LMNA (0.53) MAP4K4FYNMAPTHTTSMN1; SMN2
SCHEMBL30452867 0.81 LMNA (0.53) MAP4K4FYNMAPTHTTSMN1; SMN2
SCHEMBL29870411 0.80 NPC1 (0.55) MAP4K4MAOBHTR1ADRD2ABCB1
SCHEMBL28513683 0.80 NPC1 (0.55) MAP4K4MAOBHTR1ADRD2ABCB1
SCHEMBL10214982 0.78 MAOB (0.46) MAP4K3MAOBHTR1ADRD2ABCB1
SCHEMBL30454973 0.78 MET (0.67) MAP4K3MAP4K4FYNMAPTSMN1; SMN2
SCHEMBL488061 0.78 MET (0.67) MAP4K3MAP4K4FYNMAPTSMN1; 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476667-A2 Aminoheteroaryl compounds as protein kinase inhibitors Sugen, Inc. (US) 2012-07-18 EP claimed
JP-4695588-B2 2011-06-08 JP claimed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US claimed
JP-2006519232-A 2006-08-24 JP claimed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP claimed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 US claimed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 WO claimed
EP-4599890-A2 SUNITINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2025-08-13 EP disclosed
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed
CN-113181362-A Agent for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2021-07-30 CN disclosed
EP-3789027-A1 BOSUTINIB, SUNITINIB, TIVOZANIB, IMATINIB, NILOTINIB, REBASTINIB OR BAFETINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2021-03-10 EP disclosed
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 US disclosed
EP-3246046-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2017-11-22 EP disclosed
US-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-08-10 US disclosed
US-20060046991-A1 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib AGOURON PHARMACEUTICALS, INC. 2006-03-02 US disclosed
WO-2006021884-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO disclosed
WO-2006021886-A1 AMINOHETEROARYL COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO disclosed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP disclosed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 US disclosed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 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-20060046991-A1 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib ALK, MET, ERBB2 MAP4K3 78/4885MAP4K4 106/4885MAOB 2995/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 MAP4K3 278/4885MAP4K4 303/4885MAOB 1174/4885
US-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, CDC42BPA MAP4K3 14/4885MAP4K4 16/4885MAOB 4324/4885
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer MET, ERBB2, CDK4 MAP4K3 56/4885MAP4K4 40/4885MAOB 1810/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MAP4K3 8/4885MAP4K4 10/4885MAOB 3044/4885

“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.