SCHEMBL824897

SCHEMBL824897

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(N3CCCCC3)cc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
NPY5R Q15761 1/20 0.49
PIK3C3 Q8NEB9 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PDK2 Q15119 2/20 0.40
KIF11 P52732 2/20 0.39
IP6K1 Q92551 2/20 0.39
PDE10A Q9Y233 1/20 0.39
JAK1 P23458 3/20 0.38
JAK3 P52333 3/20 0.38
JAK2 O60674 2/20 0.38
FFAR1 O14842 1/20 0.38
IP6K3 Q96PC2 1/20 0.37
TYK2 P29597 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
SCHEMBL824626 0.99 AR (0.51) ARNPY5RPIK3C3HSD17B10PDK2
SCHEMBL824620 0.97 AR (0.48) ARNPY5RPIK3C3HSD17B10PDK2
SCHEMBL824773 0.90 AR (0.41) ARNPY5RPIK3C3PDE10AJAK1
SCHEMBL824758 0.90 AR (0.41) ARNPY5RPIK3C3IP6K1PDE10A
SCHEMBL824684 0.89 PIK3C3 (0.49) ARPIK3C3HSD17B10PDK2KIF11
SCHEMBL824670 0.87 AR (0.39) ARNPY5RPIK3C3PDE10AJAK1
SCHEMBL824638 0.87 PIK3C3 (0.41) ARNPY5RPIK3C3PDK2PDE10A
SCHEMBL824712 0.86 CCNE2 (0.40) ARNPY5RPIK3C3PDK2JAK3
SCHEMBL824776 0.86 CCNE2 (0.40) ARNPY5RPIK3C3PDK2JAK3
SCHEMBL824660 0.86 CCNE2 (0.40) ARNPY5RPIK3C3PDK2JAK3

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 AR 254/4885NPY5R 113/4885PIK3C3 4269/4885

“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.