SCHEMBL9611675

SCHEMBL9611675

Cn1c(-c2ccccc2)nc2nccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.50
ADORA2B P29275 5/20 0.50
ADORA3 P0DMS8 5/20 0.50
ADORA1 P30542 4/20 0.50
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
BACE1 P56817 1/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.45
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL26297792 0.82 ALDH1A1 (0.43) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL30328203 0.79 KMT2A (0.46) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL9611671 0.77 KMT2A (0.66) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL9611679 0.77 MAPT (0.52) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL13916705 0.77 ALDH1A1 (0.57) PI4KAPI4K2BPI4K2API4KBBACE1
SCHEMBL30785418 0.77 ADORA2A (0.49) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL29202375 0.77 ADORA2A (0.46) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL29202412 0.77 ADORA2A (0.46) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL27158408 0.77 ADORA2A (0.49) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL1462732 0.73 KMT2A (0.50) ADORA2AADORA2BADORA3BACE1KMT2A

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 ADORA2A 3716/4885ADORA2B 2711/4885ADORA3 3935/4885

“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.