SCHEMBL2851289

SCHEMBL2851289

N#CC1(c2cccc(C(=O)Nc3cccc(O)c3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
BRAF P15056 1/20 0.59
NPC1 O15118 6/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 1/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.45
POLB P06746 1/20 0.43
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
P2RX1 P51575 1/20 0.43
KCNH2 Q12809 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TOP1 P11387 1/20 0.43

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
SCHEMBL2193755 0.83 BRAF (0.53) MEN1KMT2ABRAFNPC1RAB9A
SCHEMBL2193789 0.81 BRAF (0.46) MEN1KMT2ABRAFNPC1RAB9A
SCHEMBL2190481 0.81 NPC1 (0.60) MEN1KMT2ABRAFNPC1RAB9A
SCHEMBL29878139 0.80 BRAF (0.52) MEN1KMT2ABRAFNPC1RAB9A
SCHEMBL2194286 0.79 BRAF (0.52) MEN1KMT2ABRAFNPC1RAB9A
SCHEMBL2817545 0.78 NPC1 (0.71) MEN1KMT2ABRAFNPC1RAB9A
SCHEMBL11675529 0.78 MEN1 (1.00) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6793906 0.78 MEN1 (0.93) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29800565 0.78 MEN1 (0.93) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1008115 0.78 KMT2A (0.45) KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF NGUYEN TRUC MINH 2010-01-21 US disclosed
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 EP disclosed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 US disclosed
EP-1828179-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF Memory Pharmaceutical Corporation (US) 2007-09-05 EP disclosed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 US disclosed
WO-2006069097-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2006-06-29 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 (3 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 MEN1 627/4885KMT2A 974/4885BRAF 1/4885
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 MEN1 3515/4885KMT2A 3536/4885BRAF 4455/4885
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA6 MEN1 3515/4885KMT2A 3536/4885BRAF 4455/4885

“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.