SCHEMBL4294701

SCHEMBL4294701

COc1cc(N)c2c(c1)OCC(CO)O2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
CSF1R P07333 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
FFAR1 O14842 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4290552 0.89 MTNR1A (0.39) MTNR1AMAPTGAAFFAR1ALDH1A1
SCHEMBL15199258 0.78 MTNR1A (0.38) MTNR1AMAPTGAAFFAR1ALDH1A1
SCHEMBL4298066 0.77 KDM4E (0.37) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL11484008 0.75 MTNR1A (0.56) MTNR1AMAPTGAAFFAR1ALDH1A1
SCHEMBL29444764 0.75 MTNR1A (0.63) MTNR1AMAPTGAAFFAR1ALDH1A1
SCHEMBL1870686 0.75 MTNR1A (0.63) MTNR1AMAPTGAAFFAR1ALDH1A1
SCHEMBL6982719 0.75 MTNR1A (0.63) MTNR1AMAPTGAAFFAR1ALDH1A1
SCHEMBL14661684 0.75 ALDH1A1 (0.38) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL14661610 0.75 ALDH1A1 (0.38) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL16241789 0.75 PIK3CG (0.40) MAPTGAA

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
EP-2630129-B1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2016-10-26 EP disclosed
US-8895559-B2 Quinoxalines derivatives and pharmaceutical compositions and kits MERCK PATENT GMBH (DE) 2014-11-25 US disclosed
US-8895559-B2 Quinoxalines derivatives and pharmaceutical compositions and kits MERCK PATENT GMBH (DE) 2014-11-25 US disclosed
US-20130217670-A1 QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130217670-A1 QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
WO-2012052102-A1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2012-04-26 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-20130217670-A1 QUINOXALINE DERIVATIVES PIK3R5, NQO2, PIK3R1 MTNR1A 840/4885CSF1R 983/4885MAPT 4120/4885

“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.