SCHEMBL4520736

SCHEMBL4520736

CC1CCCN1C(=O)c1ccc2nccnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
GAA P10253 2/20 0.60
CCNE1 P24864 6/20 0.51
CDK2 P24941 6/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
POLB P06746 1/20 0.49
PDK2 Q15119 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
GRM5 P41594 1/20 0.46
NAMPT P43490 1/20 0.46
HTT P42858 1/20 0.46

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
Hydrochloric Acid SCHEMBL4966003 0.99 HPGD (0.58) HPGDGAACCNE1CDK2CA12
SCHEMBL4516437 0.96 HPGD (0.67) HPGDGAACCNE1CDK2CA12
Hydrochloric Acid SCHEMBL4558278 0.95 HPGD (0.65) HPGDGAACCNE1CDK2CA12
SCHEMBL4523945 0.86 HPGD (0.54) HPGDGAACCNE1CDK2POLB
SCHEMBL24026149 0.85 GAA (0.55) HPGDGAACCNE1CDK2CA12
SCHEMBL4519538 0.83 HPGD (0.54) HPGDPOLBLMNAMEN1KMT2A
SCHEMBL4525763 0.83 HPGD (0.51) HPGDGAAPOLB
SCHEMBL4519591 0.80 HPGD (0.48) HPGDGAAPOLBMEN1KMT2A
SCHEMBL24026047 0.80 GAA (0.55) HPGDGAACCNE1CDK2CA12
SCHEMBL4528625 0.80 HPGD (0.56) HPGDPOLBLMNAMEN1KMT2A

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 470/4885GAA 613/4885CCNE1 4743/4885

“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.