SCHEMBL14764469

SCHEMBL14764469

Cc1ccc2nc(C)c(NN)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.52
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
NCK1 P16333 1/20 0.39
BACE1 P56817 1/20 0.39
CYP1A2 P05177 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PSMB5 P28074 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14764667 1.00 NQO2 (0.52) NQO2KDM4EMAPTALDH1A1RAB9A
SCHEMBL14764574 0.82 KDM4E (0.44) KDM4EMAPTALDH1A1RAB9APOLB
SCHEMBL12502826 0.82 ALDH1A1 (0.54) KDM4EMAPTALDH1A1RAB9APOLB
SCHEMBL14764522 0.82 ALDH1A1 (0.54) KDM4EMAPTALDH1A1RAB9APOLB
SCHEMBL14475228 0.82 PABPC1 (0.47) KDM4EMAPTALDH1A1RAB9APOLB
SCHEMBL14764509 0.82 KDM4E (0.44) KDM4EMAPTALDH1A1RAB9APOLB
SCHEMBL14475211 0.82 PABPC1 (0.47) KDM4EMAPTALDH1A1RAB9APOLB
SCHEMBL437073 0.82 NQO2 (0.48) NQO2KDM4EMAPTALDH1A1RAB9A
SCHEMBL12503018 0.80 MAPT (0.58) NQO2KDM4EMAPTALDH1A1RAB9A
SCHEMBL30745612 0.80 NQO2 (0.70) NQO2KDM4EMAPTALDH1A1RAB9A

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-9669035-B2 Combinations comprising PDE 2 inhibitors such as 1-aryl-4-methyl-[1,2,4]triazolo-[4,3-A]]quinoxaline compounds and PDE 10 inhibitors for use in the treatment of neurological of metabolic disorders JANSSEN PHARMACEUTICA NV (BE) 2017-06-06 US disclosed
US-20150366873-A1 COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO-[4,3-A]]QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OF METABOLIC DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 US disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 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-20150366873-A1 COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO-[4,3-A]]QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OF METABOLIC DISORDERS PDE12, PDE5A, PDE2A NQO2 129/4885KDM4E 570/4885MAPT 3376/4885

“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.