SCHEMBL3501362

SCHEMBL3501362

CC(=O)Nc1nn(C2CCCCO2)cc1-c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
GRM5 P41594 2/20 0.37
FGFR1 P11362 1/20 0.37
DDR2 Q16832 1/20 0.37
TSHR P16473 1/20 0.36
ADORA2A P29274 1/20 0.36
CHRM3 P20309 3/20 0.36

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
SCHEMBL3502584 0.80 RIPK2 (0.39) ABL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL28928587 0.71 MCL1 (0.52) ALDH1A1MEN1MAPTKMT2ANPC1
SCHEMBL3832091 0.71 KMT2A (0.48) ALDH1A1MEN1MAPTKMT2ANPC1
SCHEMBL1118858 0.69 ABL1 (0.34) ABL1ALDH1A1MAPTNPC1HPGD
SCHEMBL1118861 0.68 RXFP1 (0.38) ABL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL3501367 0.68 ADORA3 (0.40) ABL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL23535760 0.67 CD274 (0.41) ABL1MEN1KMT2AADORA3ADORA1
SCHEMBL30134079 0.67 CNR2 (0.38) ABL1ALDH1A1MEN1KMT2ANPC1
SCHEMBL4284040 0.67 POLB (0.46) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL23535687 0.67 ALDH1A1 (0.43) ABL1ALDH1A1MEN1MAPTKMT2A

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
EP-2108644-B1 N-(Methyl)-pyridin-2-amine derivatives for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2016-07-20 EP disclosed
US-8673940-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2014-03-18 US disclosed
US-20120309791-A1 NOVEL COMPOUND FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2012-12-06 US disclosed
US-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2010-07-22 US disclosed
EP-2108644-A1 N-(methyl)-pyridin-2-amine derivatives for the treatment of diseases associated with amyloid or amyloid-like proteins AC Immune S.A. (CH) 2009-10-14 EP disclosed
EP-2102165-A2 N-(METHYL)-1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC Immune S.A. (CH) 2009-09-23 EP disclosed
WO-2008061795-A2 N- (METHYL) -1H- PYRAZOL- 3 -AMINE, N- (METHYL) -PYRIDIN-2-AMINE AND N- (METHYL) -THIAZ0L-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2008-05-29 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-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S PSEN2, APP, PSEN1 ABL1 3941/4885ALDH1A1 1985/4885MEN1 1644/4885
US-20120309791-A1 NOVEL COMPOUND FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, PSEN2, PSEN1 ABL1 4674/4885ALDH1A1 3285/4885MEN1 2866/4885

“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.