SCHEMBL4523945

SCHEMBL4523945

CC1C(O)CCCN1C(=O)c1ccc2nccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
POLB P06746 1/20 0.46
GAA P10253 1/20 0.43
HSD11B1 P28845 9/20 0.41
PDK2 Q15119 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CCNE1 P24864 4/20 0.40
CDK2 P24941 4/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL4520736 0.86 HPGD (0.60) HPGDPOLBGAAPDK2ALDH1A1
Hydrochloric Acid SCHEMBL4966003 0.85 HPGD (0.58) HPGDPOLBGAAPDK2ALDH1A1
SCHEMBL4525763 0.84 HPGD (0.51) HPGDPOLBGAAHSD11B1MGLL
SCHEMBL4516437 0.82 HPGD (0.67) HPGDPOLBGAAHSD11B1ALDH1A1
SCHEMBL4519591 0.82 HPGD (0.48) HPGDPOLBGAAALDH1A1
Hydrochloric Acid SCHEMBL4558278 0.81 HPGD (0.65) HPGDPOLBGAAHSD11B1ALDH1A1
SCHEMBL4519538 0.80 HPGD (0.54) HPGDPOLBHSD11B1ALDH1A1
SCHEMBL4528625 0.77 HPGD (0.56) HPGDPOLBHSD11B1ALDH1A1
SCHEMBL4522870 0.76 HPGD (0.67) HPGDALDH1A1
Hydrochloric Acid SCHEMBL4558463 0.76 HPGD (0.55) HPGDPOLBHSD11B1ALDH1A1

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-20090286797-A1 Novel Quinoxaline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-19 US claimed
EP-1960373-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-08-27 EP claimed
WO-2007060144-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-05-31 WO claimed
US-20090286797-A1 Novel Quinoxaline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-19 US disclosed
EP-1960373-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-08-27 EP disclosed
WO-2007060144-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-05-31 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 (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-20090286797-A1 Novel Quinoxaline Derivatives and Their Medical Use GRM2, GRIK5, GRIN2A HPGD 470/4885POLB 3962/4885GAA 613/4885

“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.