SCHEMBL119683

SCHEMBL119683

COc1cccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PKM P14618 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
BRD4 O60885 2/20 0.36
ADORA1 P30542 1/20 0.36
VCP P55072 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL120827 0.88 KMT2A (0.42) KMT2APOLBPDE2APDE10ATP53
SCHEMBL119361 0.85 KMT2A (0.44) KMT2APOLBPDE2APDE10ATP53
SCHEMBL121445 0.84 KMT2A (0.42) KMT2APOLBTP53ADORA3BRD4
SCHEMBL120817 0.82 FYN (0.42) KMT2APOLBIKBKBCHUKTP53
SCHEMBL3723003 0.82 KMT2A (0.47) KMT2APOLBIKBKBCHUKADORA3
SCHEMBL123201 0.82 KMT2A (0.41) KMT2APOLBPDE2APDE10ATP53
SCHEMBL120263 0.81 KMT2A (0.44) KMT2APOLBIKBKBCHUKADORA3
SCHEMBL121918 0.81 FYN (0.51) KMT2APOLBTP53MAPTADORA1
SCHEMBL6113604 0.81 TLR7 (0.45) KMT2APOLBADORA3BRD4TLR7
SCHEMBL122190 0.79 KMT2A (0.43) KMT2APOLBADORA3BRD4ADORA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729082-B2 Substituted imidazoquinoxalines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-20 US claimed
US-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US claimed
EP-2424537-A1 SUBSTITUTED IMIDAZOQUINOXALINES Bayer Pharma Aktiengesellschaft (DE) 2012-03-07 EP claimed
EP-2424537-B1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER IP GMBH (DE) 2015-07-08 EP disclosed
EP-2424537-B1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER IP GMBH (DE) 2015-07-08 EP disclosed
US-8729082-B2 Substituted imidazoquinoxalines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-20 US disclosed
US-8729082-B2 Substituted imidazoquinoxalines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-20 US disclosed
US-8729082-B2 Substituted imidazoquinoxalines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-20 US disclosed
US-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 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-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES TTBK1, TTK, TTBK2 KMT2A 4171/4885POLB 1173/4885IKBKB 283/4885

“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.