SCHEMBL9611671

SCHEMBL9611671

Cn1c(-c2ccccc2)nc2ncccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
BACE1 P56817 1/20 0.65
ATM Q13315 1/20 0.51
MEN1 O00255 2/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
TLR7 Q9NYK1 1/20 0.48
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 3/20 0.45
PKM P14618 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 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
SCHEMBL1462732 0.79 KMT2A (0.50) KMT2ABACE1MEN1TLR7ALDH1A1
SCHEMBL12326600 0.79 BACE1 (1.00) KMT2ABACE1MEN1RAB9ANPC1
SCHEMBL2750728 0.78 BACE1 (0.46) KMT2ABACE1RAB9ANPC1BRD4
SCHEMBL10247452 0.78 KMT2A (0.64) KMT2ABACE1MEN1RAB9ANPC1
SCHEMBL9611675 0.77 ADORA2A (0.50) KMT2ABACE1ATMMEN1RAB9A
SCHEMBL9611677 0.77 ATM (0.53) KMT2ABACE1ATMMEN1RAB9A
SCHEMBL14947869 0.75 KMT2A (0.59) KMT2ABACE1MEN1RAB9ANPC1
SCHEMBL7549940 0.74 ALDH1A1 (0.46) KMT2ABACE1MEN1RAB9ANPC1
SCHEMBL18225432 0.74 KDM4E (0.61) KMT2ABACE1MEN1RAB9ANPC1
SCHEMBL1701244 0.74 SMN1; SMN2 (0.52) KMT2ABACE1RAB9ANPC1BRD4

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 KMT2A 1153/4885BACE1 1070/4885ATM 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.