Sugi Predict

Sugi Predict / Compounds / SCHEMBL14764938

SCHEMBL14764938

SCHEMBL14764938

Cc1ccc2nc(C)c(=O)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.56
▸ KMT2A Q03164 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CYP1A2 P05177 2/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ALKBH3 Q96Q83 1/20 0.50
▸ DAO P14920 1/20 0.50
▸ DDO Q99489 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ CYP3A4 P08684 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
SCHEMBL14765197 0.85 MAPT (0.56) KMT2AHSD17B10GAAALDH1A1HPGD
SCHEMBL6311370 0.82 ALDH1A1 (0.64) KMT2AHSD17B10USP2ALDH1A1HPGD
SCHEMBL14239551 0.82 PIN1 (0.57) PIN1KMT2APOLBHSD17B10GAA
SCHEMBL2178282 0.82 KDM4E (0.52) ALKBH3DAODDOKDM4E
SCHEMBL14474322 0.82 ALDH1A1 (0.54) KMT2AALDH1A1HTTRAB9AALKBH3
SCHEMBL620809 0.80 KDM4E (0.55) KMT2APOLBHSD17B10ALDH1A1HPGD
SCHEMBL15745613 0.78 CBFB (0.48) PIN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL27077574 0.78 TDP1 (0.69) PIN1KMT2APOLBALDH1A1HPGD
SCHEMBL12597034 0.78 ALKBH3 (0.49) KMT2APOLBCYP1A2NPC1RAB9A
SCHEMBL30888878 0.77 SCN10A (0.40) PIN1KMT2AHSD17B10GAAUSP2

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
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A PIN1 1961/4885KMT2A 922/4885POLB 2095/4885
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 PIN1 1560/4885KMT2A 917/4885POLB 1739/4885

“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.