SCHEMBL1782038

SCHEMBL1782038

Cc1nc2ccc(N)cc2nc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
TLR9 Q9NR96 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 7/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
PTPN11 Q06124 1/20 0.41
DYRK1A Q13627 2/20 0.40
CDC7 O00311 1/20 0.40
EEF2K O00418 1/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
DYRK3 O43781 1/20 0.40
RPS6KA5 O75582 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
PHKG2 P15735 1/20 0.40
CDK2 P24941 1/20 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
SCHEMBL30343134 0.82 KMT2A (0.53) KMT2ATLR9ATMKDM4ELMNA
SCHEMBL1770021 0.82 KMT2A (0.53) KMT2ATLR9ATMKDM4ELMNA
SCHEMBL18083006 0.81 KDM4E (0.58) KMT2AKDM4ESMN1; SMN2MEN1MAPT
SCHEMBL20043208 0.80 KDM4E (0.40) KMT2AKDM4ESMN1; SMN2MEN1KCNH2
SCHEMBL20043227 0.80 KDM4E (0.40) KMT2AKDM4ESMN1; SMN2MEN1KCNH2
SCHEMBL14427995 0.77 ALDH1A1 (0.52) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL4586206 0.73 KMT2A (0.67) KMT2ATLR9ATMKDM4ELMNA
SCHEMBL29922808 0.73 KMT2A (0.67) KMT2ATLR9ATMKDM4ELMNA
SCHEMBL3480837 0.73 KMT2A (0.67) KMT2ATLR9ATMKDM4ELMNA
SCHEMBL31087686 0.71 KMT2A (0.61) KMT2ATLR9ATMKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691377-B1 AMINOQUINOXALINE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENT (C N R S ) (FR) 2018-03-07 EP disclosed
EP-2691377-B1 AMINOQUINOXALINE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENT (C N R S ) (FR) 2018-03-07 EP disclosed
US-9434701-B2 Aminoquinoxaline derivatives for treatment of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-09-06 US disclosed
US-9434701-B2 Aminoquinoxaline derivatives for treatment of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-09-06 US disclosed
US-8445511-B2 Quinoline or quinoxaline derivatives for treating neurodegenerative diseases Centre National de la Recherche Scientifique (SNRS) (FR) 2013-05-21 US disclosed
US-8445511-B2 Quinoline or quinoxaline derivatives for treating neurodegenerative diseases Centre National de la Recherche Scientifique (SNRS) (FR) 2013-05-21 US disclosed
US-8445511-B2 Quinoline or quinoxaline derivatives for treating neurodegenerative diseases Centre National de la Recherche Scientifique (SNRS) (FR) 2013-05-21 US disclosed
WO-2012131080-A1 AMINOQUINOXALINE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-10-04 WO disclosed
US-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) 2011-05-19 US disclosed
US-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) 2011-05-19 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-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HCRTR2, HCRTR1, CHRNA2 KMT2A 2351/4885TLR9 2905/4885ATM 4620/4885

“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.