SCHEMBL3500140

SCHEMBL3500140

O=C(O)c1ccc(NC(=O)c2ccc(Br)nc2)nc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.69
GCK P35557 2/20 0.52
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
DEGS1 O15121 1/20 0.48

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
SCHEMBL17928433 0.88 HCAR3 (0.57) HCAR3GCKMEN1NPC1RAB9A
SCHEMBL3502440 0.88 NPC1 (0.66) HCAR3MEN1NPC1RAB9AKMT2A
SCHEMBL3500869 0.88 NPC1 (0.66) HCAR3MEN1NPC1RAB9AKMT2A
SCHEMBL3501490 0.85 CXCR2 (0.57) HCAR3MEN1NPC1RAB9AKMT2A
SCHEMBL3499765 0.84 DEGS1 (0.50) HCAR3MEN1NPC1RAB9AKMT2A
SCHEMBL38414 0.83 P4HA1 (0.61) HCAR3
SCHEMBL29751460 0.83 P4HA1 (0.61) HCAR3
SCHEMBL2664544 0.82 HCAR3 (1.00) HCAR3GCKMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL1871783 0.81 P4HA1 (0.59) HCAR3
SCHEMBL14636776 0.80 NPC1 (0.71) HCAR3MEN1NPC1RAB9AKMT2A

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 13 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-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-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-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-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
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
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 HCAR3 2808/4885GCK 3308/4885MEN1 1644/4885
US-20120309791-A1 NOVEL COMPOUND FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, PSEN2, PSEN1 HCAR3 1747/4885GCK 3826/4885MEN1 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.