SCHEMBL9611677

SCHEMBL9611677

Cn1c(-c2ccccc2)nc2ncncc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
TLR7 Q9NYK1 1/20 0.49
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
BACE1 P56817 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL9611671 0.77 KMT2A (0.66) ATMTLR7KMT2AMEN1ADORA2A
SCHEMBL28206757 0.76 TLR7 (0.51) ATMTLR7KMT2AMEN1ADORA2A
SCHEMBL13041958 0.75 KDM4E (0.35) CYP1A2CYP3A4TSHRCLK4KDM4E
SCHEMBL9611672 0.74 CYP1A2 (0.65) ATMTLR7KMT2AMEN1CYP1A2
SCHEMBL7157946 0.74 KDM4E (0.48) ATMNPC1RAB9AKDM4EALDH1A1
SCHEMBL9611670 0.72 ATM (0.77) ATMTLR7KMT2AMEN1CYP3A4
SCHEMBL10315083 0.71 MAPK1 (0.51) CYP1A2CYP3A4TSHRPI4KAPI4K2B
SCHEMBL21363502 0.70 CLK4 (0.38) CYP1A2CYP3A4CLK4
SCHEMBL783109 0.70 ADORA2A (0.49) ATMTLR7CYP1A2CYP3A4ADORA2A
SCHEMBL9611673 0.69 ATM (1.00) ATMTLR7KMT2AMEN1NPC1

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 ATM 3804/4885TLR7 2951/4885KMT2A 1153/4885

“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.