SCHEMBL12044784

SCHEMBL12044784

Cc1cc2c(cc1C(=O)N1CCc3cccnc31)[nH]c(=O)c1nnc(C3CCC(F)(F)CC3)n12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.40
IDH1 O75874 3/20 0.31
PDE9A O76083 2/20 0.31
PLAT P00750 1/20 0.30
HSD11B1 P28845 1/20 0.30
AVPR1A P37288 1/20 0.30

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
SCHEMBL7906936 0.92 CRBN (0.40) CRBNPDE9APLAT
SCHEMBL7907820 0.90 PDE9A (0.33) PDE9A
SCHEMBL12044761 0.90 CRBN (0.39) CRBN
SCHEMBL12044910 0.88 PDE9A (0.32) PDE9A
SCHEMBL12044931 0.87 CRBN (0.38) CRBN
SCHEMBL7908894 0.87 CRBN (0.41) CRBN
SCHEMBL7896981 0.85 CRBN (0.37) CRBNIDH1PDE9A
SCHEMBL1721972 0.84 BRD4 (0.37) PLAT
SCHEMBL7899537 0.84 AVPR2 (0.38) PDE9APLATAVPR1A
Hydrochloric Acid SCHEMBL9979346 0.84 BRD4 (0.37) PLAT

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 6 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

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 CRBN 4462/4885IDH1 970/4885PDE9A 1/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A CRBN 3942/4885IDH1 1032/4885PDE9A 1/4885

“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.