Sugi Predict

Sugi Predict / Compounds / SCHEMBL824739

SCHEMBL824739

SCHEMBL824739

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(-n3ccnc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ CYP2C19 P33261 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP19A1 P11511 2/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44

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
SCHEMBL824792 0.81 PDE10A (0.39) ALDH1A1MEN1KMT2APDE10A
SCHEMBL3544031 0.81 PIK3C3 (0.40) LMNAALDH1A1MEN1KMT2APDE10A
SCHEMBL824957 0.79 NOTUM (0.46) ALDH1A1MEN1KMT2APDE10A
SCHEMBL824626 0.78 AR (0.51) HSD17B10PDE10A
SCHEMBL824620 0.78 AR (0.48) ALDH1A1MEN1KMT2AHSD17B10PDE10A
SCHEMBL3542628 0.78 PIK3C3 (0.40) ALDH1A1MEN1KMT2APDE10A
SCHEMBL824897 0.78 AR (0.50) HSD17B10PDE10A
SCHEMBL3543424 0.77 PIK3C3 (0.42) ALDH1A1MEN1KMT2APDE10A
SCHEMBL824758 0.77 AR (0.41) CYP1A2ALDH1A1MEN1KMT2APDE10A
SCHEMBL3540577 0.77 NPY5R (0.41) ALDH1A1MEN1KMT2APDE10A

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 CYP1A2 51/4885CYP3A4 19/4885CYP2D6 66/4885

“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.