SCHEMBL3577962

SCHEMBL3577962

COc1ccc(CC2CCN(C)CC2)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.49
HTR1A P08908 13/20 0.48
SLC6A4 P31645 13/20 0.48
PIK3CG P48736 1/20 0.47
GSK3B P49841 1/20 0.45
NOS2 P35228 1/20 0.43
SIGMAR1 Q99720 2/20 0.43

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
SCHEMBL3586208 0.85 MEN1 (0.43) RYR2HTR1ASLC6A4
SCHEMBL3587135 0.84 PIK3CG (0.52) RYR2HTR1ASLC6A4PIK3CG
SCHEMBL3574540 0.84 MTNR1A (0.44) RYR2HTR1ASLC6A4
SCHEMBL3580606 0.82 PIK3CG (0.42) RYR2HTR1ASLC6A4PIK3CG
SCHEMBL3580603 0.82 ALDH1A1 (0.41) RYR2HTR1ASLC6A4
SCHEMBL3575811 0.81 PIK3CG (0.47) RYR2HTR1ASLC6A4PIK3CG
SCHEMBL3573588 0.81 RYR2 (0.43) RYR2HTR1ASLC6A4PIK3CG
SCHEMBL3582590 0.81 PIK3CG (0.43) RYR2HTR1ASLC6A4PIK3CG
SCHEMBL28076607 0.79 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL3582211 0.78 EPHX2 (0.55) RYR2

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
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
US-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 RYR2 3197/4885HTR1A 1658/4885SLC6A4 866/4885

“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.