SCHEMBL824706

SCHEMBL824706

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.44
PDE10A Q9Y233 1/20 0.43
FFAR1 O14842 1/20 0.42
C1R P00736 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 3/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.38
PIK3C3 Q8NEB9 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL824733 0.84 PDE10A (0.43) PDE10AFFAR1C1RKDM4EALDH1A1
SCHEMBL824673 0.84 KDM4E (0.46) PDE10AFFAR1C1RKDM4EALDH1A1
SCHEMBL824654 0.84 AR (0.45) PDE10AFFAR1C1RKDM4EALDH1A1
SCHEMBL824963 0.81 AR (0.45) PDE10AFFAR1C1RKDM4EALDH1A1
SCHEMBL824762 0.79 PDE10A (0.40) PDE10AFFAR1C1RKDM4EALDH1A1
SCHEMBL3542628 0.78 PIK3C3 (0.40) PDE10AFFAR1C1RKDM4EALDH1A1
SCHEMBL3544031 0.78 PIK3C3 (0.40) PDE10AFFAR1C1RKDM4EALDH1A1
SCHEMBL824620 0.78 AR (0.48) PDE10AFFAR1C1RKDM4EALDH1A1
SCHEMBL2709079 0.78 FFAR1 (0.45) PDE10AFFAR1C1RALDH1A1GAA
SCHEMBL824828 0.78 PIK3C3 (0.39) PDE10AFFAR1C1RKDM4EALDH1A1

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 PTGES 3814/4885PDE10A 3212/4885FFAR1 452/4885

“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.