SCHEMBL120443

SCHEMBL120443

CC(C)CNc1nc2ccccc2n2c(-c3cccs3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 6/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 3/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HTT P42858 1/20 0.41
RCE1 Q9Y256 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3729110 0.86 KMT2A (0.46) LMNAKMT2APOLBSMN1; SMN2BRD4
SCHEMBL120513 0.84 KMT2A (0.46) KMT2APOLBBRD4ACP1ADORA3
SCHEMBL120398 0.84 TTK (0.52) LMNAKMT2APOLBSMN1; SMN2BRD4
SCHEMBL120351 0.84 KMT2A (0.43) LMNAKMT2APOLBSMN1; SMN2BRD4
SCHEMBL3723003 0.83 KMT2A (0.47) LMNAKMT2APOLBSMN1; SMN2BRD4
SCHEMBL121930 0.81 KMT2A (0.47) HPGDLMNAKMT2APOLBSMN1; SMN2
SCHEMBL120263 0.80 KMT2A (0.44) KMT2APOLBBRD4ACP1ADORA3
SCHEMBL119361 0.80 KMT2A (0.44) LMNAKMT2APOLBSMN1; SMN2BRD4
SCHEMBL3811367 0.80 TTK (0.48) KMT2APOLBBRD4ACP1
SCHEMBL120630 0.80 TTK (0.43) KMT2APOLBBRD4ACP1ADORA3

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 13 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
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 KDM4E 4230/4885ALDH1A1 3937/4885HPGD 3386/4885

“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.