Sugi Predict

Sugi Predict / Compounds / SCHEMBL7907359

SCHEMBL7907359

SCHEMBL7907359

COc1cc(-c2nnc3c(=O)[nH]c4cc(C(=O)N5CCN(C)C(c6ccccc6)C5)c(C)cc4n23)cc(F)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ P2RX7 Q99572 2/20 0.39
▸ CFD P00746 2/20 0.35
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL7912548 0.89 ROCK2 (0.43) ALDH1A1MEN1TSHRKMT2AHPGD
SCHEMBL7907361 0.88 KRAS (0.37) PKMKDM4EALDH1A1POLBMEN1
SCHEMBL7902984 0.85 TRAP1 (0.37) PKMKDM4EALDH1A1POLBMEN1
SCHEMBL10186501 0.83 KMT2A (0.41) RAB9ANPC1KDM4EALDH1A1NPSR1
SCHEMBL7904292 0.82 P2RX7 (0.47) HSP90AA1RAB9ANPC1PKMKDM4E
SCHEMBL7908855 0.81 PDE2A (0.37) MAPT
SCHEMBL7905582 0.80 P2RX7 (0.43) HSP90AA1RAB9ANPC1PKMKDM4E
SCHEMBL14826749 0.79 POLB (0.33) PKMKDM4EALDH1A1POLBMEN1
SCHEMBL7906381 0.79 POLB (0.33) PKMKDM4EALDH1A1POLBMEN1
SCHEMBL7899542 0.79 TRPM8 (0.36) ALDH1A1MAPK1POLBMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 — — US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 — — US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 — — US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 — — US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 — — US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 — — US disclosed
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 — — WO 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A HSP90AA1 3010/4885RAB9A 32/4885NPC1 3186/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A HSP90AA1 3955/4885RAB9A 34/4885NPC1 3498/4885

“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.