SCHEMBL824756

SCHEMBL824756

O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 1/20 0.49
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ACE2 Q9BYF1 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KIT P10721 1/20 0.44
PTPRC P08575 1/20 0.44
ITK Q08881 2/20 0.44
P2RX1 P51575 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
HDAC1 Q13547 1/20 0.43
FFAR1 O14842 1/20 0.43
CASP3 P42574 2/20 0.41

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
SCHEMBL2709079 0.90 FFAR1 (0.45) BRD4MEN1LMNAMAPTKMT2A
SCHEMBL2710083 0.87 FFAR1 (0.42) BRD4MEN1LMNAMAPTKMT2A
SCHEMBL2710082 0.87 FFAR1 (0.42) BRD4MEN1LMNAMAPTKMT2A
SCHEMBL824754 0.85 KIT (0.42) BRD4MAPTKITPTPRCTRPV1
SCHEMBL3543216 0.84 PARP1 (0.45) KITPTPRCTRPV1FFAR1CASP3
SCHEMBL824692 0.84 KCNJ11 (0.42) BRD4LMNAMAPTNPC1RAB9A
SCHEMBL824834 0.83 FFAR1 (0.39) BRD4MEN1LMNAKMT2AKIT
SCHEMBL824707 0.82 ROCK2 (0.53) MAPTNPC1RAB9AFFAR1CASP3
SCHEMBL824963 0.82 AR (0.45) MEN1KMT2AKITTRPV1FFAR1
SCHEMBL824729 0.82 FFAR1 (0.40) MEN1LMNAMAPTKMT2AKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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 (1 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 BRD4 469/4885MEN1 3604/4885LMNA 4396/4885

“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.