SCHEMBL2023855

SCHEMBL2023855

Fc1ccccc1-c1nnc2cnccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.47
KDM4E B2RXH2 1/20 0.40
HSD11B1 P28845 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
DCTPP1 Q9H773 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2021978 0.83 FLT1 (0.45) PDE2AKDM4ECYP11B1CYP11B2NPC1
SCHEMBL30498955 0.77 KDM4E (0.47) PDE2AKDM4ETDP1GAAMAPT
SCHEMBL10288930 0.75 DNMT1 (0.49) PDE2AKDM4EHSD11B1DCTPP1PDE10A
SCHEMBL3621998 0.74 HSD11B1 (0.40) PDE2AKDM4EHSD11B1DCTPP1PDE10A
SCHEMBL379692 0.74 HSD11B1 (0.52) PDE2AKDM4EHSD11B1DCTPP1PDE10A
SCHEMBL380073 0.74 HSD11B1 (0.40) PDE2AKDM4EHSD11B1DCTPP1PDE10A
SCHEMBL15426201 0.74 GRM4 (0.43) PDE2AKDM4ENPC1RAB9AMAPT
SCHEMBL2023340 0.73 KDM4E (0.45) PDE2AKDM4ECYP11B1CYP11B2RAB9A
SCHEMBL29972563 0.72 GAA (0.51) PDE2AKDM4EGAAMAPTMAPK1
SCHEMBL2022562 0.72 MAPK1 (0.47) KDM4ENPC1RAB9APOLBGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 US disclosed
WO-2011082267-A2 SUBSTITUTED TRIAZOLO-PYRAZINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds MKI67, TP53, THPO PDE2A 1124/4885KDM4E 3014/4885HSD11B1 1303/4885

“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.