SCHEMBL717003

SCHEMBL717003

CCCc1c(CNc2ccc(C(=O)NCCC(=O)O)cc2)cnn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCG P01275 3/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.45
GCGR P47871 5/20 0.45
MAPK14 Q16539 3/20 0.44
MAPK11 Q15759 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SYK P43405 1/20 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
SCHEMBL13688097 0.76 MAPT (0.53) MAPTALDH1A1GAAMAPK1RAB9A
SCHEMBL13688099 0.74 MAPT (0.45) MAPTALDH1A1GAAMAPK1RAB9A
SCHEMBL3633783 0.72 NPC1 (0.46) MAPTALDH1A1GAAMAPK1RAB9A
SCHEMBL33195 0.72 MAPK14 (0.60) ALDH1A1MAPK1MAPK14MAPK11
SCHEMBL13688091 0.71 MAPK14 (0.55) MAPTALDH1A1GAAMAPK1RAB9A
SCHEMBL8573830 0.71 ALDH1A1 (0.50) MAPTALDH1A1GAAMAPK1RAB9A
SCHEMBL13688081 0.70 MAPT (0.44) MAPTALDH1A1GAAMAPK1RAB9A
SCHEMBL13688101 0.69 MAPT (0.40) MAPTALDH1A1GAAMAPK1RAB9A
SCHEMBL13688100 0.69 TRPM5 (0.46) MAPTALDH1A1GAAMAPK1RAB9A
SCHEMBL13688098 0.69 MAPT (0.47) MAPTALDH1A1GAAMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US claimed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US claimed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP claimed
US-9073864-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2015-07-07 US disclosed
US-20150152052-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-04 US disclosed
EP-2832725-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 EP disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
US-7592338-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7592338-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
US-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
US-7253170-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
US-7253170-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US 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 (4 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885MAPT 4533/4885ALDH1A1 504/4885
US-20150152052-A1 AROMATIC RING COMPOUND GLP1R, GCGR, IAPP GCG 4/4885MAPT 4338/4885ALDH1A1 3434/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885MAPT 4533/4885ALDH1A1 504/4885
US-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease MAPK1, MAPK3, MAPK4 GCG 3974/4885MAPT 205/4885ALDH1A1 4424/4885

“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.