SCHEMBL9611679

SCHEMBL9611679

Cn1c(-c2ccccc2)nc2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
ADORA2A P29274 2/20 0.49
ADORA2B P29275 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA1 P30542 1/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
TLR7 Q9NYK1 1/20 0.48

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
SCHEMBL29528796 0.89 KDM4E (0.44) MAPTKDM4EATMMEN1KMT2A
SCHEMBL13052908 0.88 MAPT (0.54) MAPTKDM4EMEN1KMT2ACCNB2
SCHEMBL29528491 0.86 KDM4E (0.43) MAPTKDM4EATMMEN1KMT2A
SCHEMBL12970201 0.85 KDM4E (0.52) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9975957 0.85 KDM4E (0.49) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL29528775 0.85 KDM4E (0.44) MAPTKDM4EATMMEN1KMT2A
SCHEMBL29528745 0.85 KDM4E (0.44) MAPTKDM4EATMMEN1KMT2A
SCHEMBL13310868 0.84 MAPT (0.56) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8208830 0.83 KDM4E (0.52) MAPTKDM4EALDH1A1HSD17B10POLB
SCHEMBL29529047 0.82 MAPT (0.42) MAPTKDM4EATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US 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-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 MAPT 3191/4885KDM4E 2763/4885ATM 3804/4885

“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.