SCHEMBL3500869

SCHEMBL3500869

O=C(Nc1ccc(C(=O)Nc2ccc(Br)cn2)cn1)c1ccc(Br)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.66
RAB9A P51151 9/20 0.66
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
RXFP1 Q9HBX9 2/20 0.66
KDM4E B2RXH2 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
HCAR3 P49019 1/20 0.53
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 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
SCHEMBL3502440 1.00 NPC1 (0.66) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL3500140 0.88 HCAR3 (0.69) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL3501490 0.85 CXCR2 (0.57) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL17928433 0.85 HCAR3 (0.57) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL3499765 0.84 DEGS1 (0.50) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL24891928 0.83 NPC1 (0.68) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL13989078 0.81 NPC1 (0.58) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL2890734 0.81 KDM4E (0.68) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL17027797 0.81 RAB9A (0.66) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL1558817 0.81 RAB9A (0.79) NPC1RAB9AMEN1KMT2ARXFP1

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 NPC1 493/4885RAB9A 3546/4885MEN1 1644/4885
US-20120309791-A1 NOVEL COMPOUND FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, PSEN2, PSEN1 NPC1 254/4885RAB9A 2382/4885MEN1 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.