SCHEMBL2820944

SCHEMBL2820944

CNc1nc2ccccc2n2cc(-c3ccc(F)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TOP2A P11388 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADORA2A P29274 13/20 0.50
ADORA1 P30542 2/20 0.50
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HTR2C P28335 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL2816349 0.89 KDM4E (0.63) KDM4EHPGDALDH1A1TOP2ALMNA
SCHEMBL2815840 0.87 ADORA2A (0.63) KDM4EHPGDALDH1A1TOP2ALMNA
SCHEMBL2817799 0.87 ADORA2A (0.63) KDM4EHPGDALDH1A1TOP2ALMNA
SCHEMBL2816214 0.87 ADORA2A (0.63) KDM4EHPGDALDH1A1TOP2ALMNA
SCHEMBL2815382 0.86 KDM4E (0.48) KDM4EHPGDALDH1A1TOP2ALMNA
SCHEMBL2820462 0.85 ADORA2A (0.67) KDM4EHPGDALDH1A1TOP2ALMNA
SCHEMBL2816975 0.84 ADORA2A (0.65) KDM4EHPGDALDH1A1TOP2ALMNA
SCHEMBL2818596 0.83 ADORA2A (0.50) KDM4EHPGDALDH1A1TOP2ALMNA
SCHEMBL2818821 0.82 KDM4E (0.47) KDM4EHPGDALDH1A1TOP2ALMNA
SCHEMBL2816603 0.82 KDM4E (0.53) KDM4EHPGDALDH1A1TOP2ALMNA

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-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 US claimed
EP-2205602-B1 IMIDAZO[1,2-A]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIV MONTPELLIER (FR) 2018-09-26 EP disclosed
US-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 US disclosed
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 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-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS IDH3A, NRAS, KRAS KDM4E 2878/4885HPGD 222/4885ALDH1A1 657/4885

“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.