SCHEMBL7905949

SCHEMBL7905949

COc1cc(-c2nnc3c(=O)[nH]c4cc(C(=O)N5CCc6ccccc6C5Cc5ccncc5)c(C)cc4n23)cc(F)c1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.35
RXFP1 Q9HBX9 2/20 0.35
LMNA P02545 4/20 0.34
PARP1 P09874 3/20 0.33
GRM5 P41594 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
CYP3A4 P08684 1/20 0.32
MTNR1B P49286 1/20 0.32
GRIN2C Q14957 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL18214699 0.93 TP53 (0.35) TP53RXFP1LMNAPARP1GRM5
SCHEMBL7899542 0.90 TRPM8 (0.36) TP53RXFP1GRM5MAPT
SCHEMBL7905284 0.84 HSD11B1 (0.32) PARP1MAPT
SCHEMBL10186501 0.83 KMT2A (0.41) RXFP1GRM5CYP3A4MAPTNPSR1
SCHEMBL7905675 0.82 ALDH1A1 (0.34) LMNAPARP1HCRTR1HCRTR2CYP3A4
SCHEMBL12044376 0.82 HCRTR1 (0.33) TP53LMNAPARP1HCRTR1HCRTR2
SCHEMBL7902984 0.81 TRAP1 (0.37) RXFP1MAPT
SCHEMBL7906381 0.80 POLB (0.33) MAPT
SCHEMBL14826749 0.80 POLB (0.33) MAPT
SCHEMBL12044353 0.80 BCL2 (0.38)

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 TP53 4230/4885RXFP1 613/4885LMNA 1393/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A TP53 4149/4885RXFP1 472/4885LMNA 940/4885

“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.