SCHEMBL8450245

SCHEMBL8450245

Cc1cccc(-c2ccccc2F)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.58
CCR8 P51685 1/20 0.58
NPC1 O15118 1/20 0.46
MPL P40238 1/20 0.46
TGFBR1 P36897 10/20 0.44
IDO1 P14902 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MBNL1 Q9NR56 1/20 0.42
CYP2A6 P11509 1/20 0.42
METAP2 P50579 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
SCHEMBL10268446 0.86 CCR1 (0.56) CCR1CCR8TGFBR1CYP2A6METAP2
SCHEMBL29470231 0.85 NPC1 (0.53) NPC1MPLIDO1GAA
SCHEMBL12856726 0.85 NPC1 (0.53) NPC1MPLIDO1GAA
SCHEMBL10540892 0.81 KMT2A (0.42) CCR1CCR8NPC1MPLTGFBR1
SCHEMBL14732911 0.80 FFAR1 (0.41) CCR1CCR8NPC1TGFBR1
SCHEMBL15888380 0.79 CCR1 (0.52) CCR1CCR8TGFBR1
SCHEMBL8090286 0.79 CCR1 (0.52) CCR1CCR8TGFBR1CYP2A6METAP2
SCHEMBL18807016 0.79 CCR1 (0.62) CCR1CCR8TGFBR1CYP2A6METAP2
SCHEMBL10374376 0.79 CCR1 (0.62) CCR1CCR8NPC1TGFBR1IDO1
SCHEMBL18952681 0.79 MBNL1 (0.40) CCR1CCR8NPC1TGFBR1MBNL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040704-B2 Fluorescent dyes with large stokes shifts UTI LIMITED PARTNERSHIP (CA) 2015-05-26 US disclosed
US-20140206870-A1 FLUORSCENT DYES WITH LARGE STOKES SHIFTS UTI LIMITED PARTNERSHIP (CA) 2014-07-24 US disclosed
EP-2162443-B1 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-31 EP disclosed
WO-2013023292-A1 FLUORESCENT DYES WITH LARGE STOKES SHIFTS UTI LIMITED PARTNERSHIP (CA) 2013-02-21 WO disclosed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
WO-2008155666-A2 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2008-12-24 WO disclosed
EP-1992621-A1 Heteroarylamide-substituted pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed
EP-0244130-B1 PROCESS FOR MAKING 6-ARYL-2-METHYL PYRIDINES ROHM AND HAAS COMPANY (US) 1990-01-17 EP disclosed
US-4804761-A Process for making 6-aryl-2-methylpyridines ROHM AND HAAS COMPANY (US) 1989-02-14 US disclosed
EP-0244130-A2 Process for making 6-aryl-2-methyl pyridines ROHM AND HAAS COMPANY (US) 1987-11-04 EP disclosed
EP-0243101-A2 Insecticidal 6-aryl-pyridine thiosemicarbazones ROHM AND HAAS COMPANY (US) 1987-10-28 EP disclosed
US-4696938-A Insecticidal 6-aryl-pyridine thiosemicarbazones ROHM AND HAAS COMPANY (US) 1987-09-29 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 (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-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES GSK3B, GSK3A, GSKIP CCR1 4539/4885CCR8 4734/4885NPC1 1389/4885
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES DHFR, DPYD, HPRT1 CCR1 858/4885CCR8 916/4885NPC1 771/4885

“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.