SCHEMBL3722009

SCHEMBL3722009

Cc1ccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
TTK P33981 4/20 0.43
BRD4 O60885 3/20 0.41
GRM5 P41594 1/20 0.41
ACP1 P24666 1/20 0.40
MEN1 O00255 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL121930 0.89 KMT2A (0.47) KMT2APOLBTTKBRD4ACP1
SCHEMBL120398 0.88 TTK (0.52) KMT2APOLBTTKBRD4ACP1
SCHEMBL120630 0.87 TTK (0.43) KMT2APOLBTTKBRD4ACP1
SCHEMBL3811367 0.86 TTK (0.48) KMT2APOLBTTKBRD4ACP1
SCHEMBL120513 0.86 KMT2A (0.46) KMT2APOLBTTKBRD4ACP1
SCHEMBL121023 0.84 TTK (0.45) KMT2APOLBTTKBRD4ACP1
SCHEMBL122273 0.84 TTK (0.47) KMT2APOLBTTKBRD4ACP1
SCHEMBL122190 0.84 KMT2A (0.43) KMT2APOLBTTKBRD4ACP1
SCHEMBL3722718 0.83 TTK (0.47) KMT2APOLBTTKBRD4
SCHEMBL122794 0.83 MAPT (0.47) KMT2APOLBTTKACP1ADORA3

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 11 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
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 1173/4885TTK 2/4885

“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.