Sugi Predict

Sugi Predict / Compounds / SCHEMBL7907361

SCHEMBL7907361

SCHEMBL7907361

COc1cc(-c2nnc3c(=O)[nH]c4cc(C(=O)N5CCOC(c6ccccc6)C5)c(C)cc4n23)cc(F)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.37
▸ PDE2A O00408 8/20 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
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33

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
SCHEMBL7908855 0.93 PDE2A (0.37) KRASPDE2AMAPTTLR9TLR8
SCHEMBL7912548 0.88 ROCK2 (0.43) PDE2AMEN1TSHRKMT2AALDH1A1
SCHEMBL7907359 0.88 HSP90AA1 (0.41) POLBMEN1THRBTSHRRECQL
SCHEMBL7902984 0.84 TRAP1 (0.37) POLBMEN1THRBTSHRRECQL
SCHEMBL10186501 0.82 KMT2A (0.41) POLBMEN1KMT2AHSD17B10KDM4E
SCHEMBL7905590 0.80 KRAS (0.37) KRASPDE2APOLBKDM4EALDH1A1
SCHEMBL14828369 0.80 KRAS (0.35) KRASPDE2APOLBTSHRHSD17B10
SCHEMBL10186483 0.79 GRIN2D (0.45) KRASPDE2AUSP30
SCHEMBL14826749 0.78 POLB (0.33) POLBMEN1THRBTSHRRECQL
SCHEMBL7906381 0.78 POLB (0.33) POLBMEN1THRBTSHRRECQL

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
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
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 — — EP 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 KRAS 4483/4885PDE2A 2/4885POLB 1816/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A KRAS 4690/4885PDE2A 4/4885POLB 3320/4885

“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.