SCHEMBL3587135

SCHEMBL3587135

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.52
RYR2 Q92736 1/20 0.51
MTNR1B P49286 1/20 0.46
BACE1 P56817 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
ACP1 P24666 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
DRD3 P35462 1/20 0.43
F10 P00742 1/20 0.43
HPGDS O60760 1/20 0.43
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL3582211 0.86 EPHX2 (0.55) RYR2BACE1MEN1KMT2A
SCHEMBL3577962 0.84 RYR2 (0.49) PIK3CGRYR2HTR1ASLC6A4
SCHEMBL8635640 0.82 SLC6A4 (0.60) PIK3CGMTNR1BMEN1KMT2APOLB
SCHEMBL3586208 0.81 MEN1 (0.43) RYR2MTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL27793579 0.80 QDPR (0.50) PIK3CGRYR2MEN1KMT2A
SCHEMBL3574540 0.79 MTNR1A (0.44) RYR2MTNR1BBACE1MEN1KMT2A
SCHEMBL20997136 0.79 KMT2A (0.46) PIK3CGRYR2MEN1KMT2ASMN1; SMN2
SCHEMBL4775057 0.78 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2ACP1POLB
SCHEMBL3580606 0.77 PIK3CG (0.42) PIK3CGRYR2MEN1KMT2ASMN1; SMN2
SCHEMBL3580603 0.77 ALDH1A1 (0.41) RYR2MEN1KMT2ASMN1; SMN2NPC1

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 10 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
CN-101663283-A Quinoxaline compounds and use thereof MERCK SERONO SA 2010-03-03 CN disclosed
EP-2118076-A1 QUINOXALINE COMPOUNDS AND USE THEREOF Merck Serono S.A. (CH) 2009-11-18 EP disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO 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 PIK3CG 595/4885RYR2 3197/4885MTNR1B 992/4885

“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.