SCHEMBL2817153

SCHEMBL2817153

Oc1ccc(-c2cnc3cnc4ccccc4n23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
BCHE P06276 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11483436 0.88 ADORA3 (0.49) MKNK1MKNK2MAPTKDM4EGMNN
Ammonia Solution, Strong SCHEMBL2817518 0.86 ADORA3 (0.50) MKNK1MKNK2MAPTKDM4EGMNN
SCHEMBL2820340 0.85 FYN (0.52) MKNK1FGFR1FYN
SCHEMBL2814411 0.81 MAPT (0.40) MAPTKDM4EGMNNALDH1A1CYP1A2
SCHEMBL2817723 0.79 FYN (0.45) MKNK1MKNK2MAPTKDM4EGMNN
SCHEMBL2814886 0.74 TYMS (0.47) MKNK1MKNK2BCHEKDM4EALDH1A1
SCHEMBL9261747 0.73 ALDH1A1 (0.47) MKNK1MAPTKDM4EGMNNALDH1A1
SCHEMBL2817616 0.72 IKBKB (0.41) BCHEKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2815052 0.72 HTR2C (0.47) BCHEMAPTKDM4ESMN1; SMN2HIF1A
SCHEMBL2818740 0.71 ADORA2A (0.58) MKNK1MKNK2BCHEMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 US claimed
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 MKNK1 307/4885MKNK2 188/4885BCHE 3601/4885

“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.