SCHEMBL3722652

SCHEMBL3722652

CC(C)CNc1nc2ccccc2n2c(-c3ccc4c(c3)OCO4)cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.48
KMT2A Q03164 6/20 0.42
KDM4E B2RXH2 5/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C19 P33261 4/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 3/20 0.42
HIF1A Q16665 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TTK P33981 1/20 0.42
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 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
SCHEMBL120525 0.94 TTK (0.42) FLT3KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL176078 0.93 FYN (0.43) FLT3KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL120398 0.83 TTK (0.52) KMT2AMEN1HIF1ASMN1; SMN2TTK
SCHEMBL121930 0.82 KMT2A (0.47) KMT2AMEN1MAPK1HIF1ASMN1; SMN2
SCHEMBL3728821 0.81 TTK (0.42) KMT2ATTKPOLB
SCHEMBL3811367 0.81 TTK (0.48) KMT2ATTKPOLB
SCHEMBL121918 0.81 FYN (0.51) FLT3KMT2AKDM4EMEN1MAPT
SCHEMBL120513 0.81 KMT2A (0.46) KMT2AMEN1TTKPOLB
SCHEMBL3723252 0.81 TTK (0.44) KMT2ATTKTP53POLBFYN
SCHEMBL3722009 0.80 KMT2A (0.46) KMT2AMEN1HIF1ASMN1; SMN2TTK

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
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 WO 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 FLT3 154/4885KMT2A 4171/4885KDM4E 4230/4885

“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.