SCHEMBL2817655

SCHEMBL2817655

CNc1nc2ccccc2n2c(-c3cccc(C#N)c3)cnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CYP1A2 P05177 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP3A4 P08684 5/20 0.51
CLK4 Q9HAZ1 4/20 0.51
CYP2C19 P33261 3/20 0.51
MAPK1 P28482 3/20 0.51
IKBKB O14920 6/20 0.45
CHUK O15111 3/20 0.45
KLK7 P49862 1/20 0.43
HTR2C P28335 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
CFTR P13569 1/20 0.41
LRRK2 Q5S007 1/20 0.41
HSD17B10 Q99714 4/20 0.40
LMNA P02545 3/20 0.40
USP2 O75604 3/20 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
SCHEMBL2816951 0.89 HTR2C (0.44) ALDH1A1CYP1A2MEN1KMT2ACYP3A4
SCHEMBL2816677 0.84 HTR2C (0.51) ALDH1A1MEN1KMT2AIKBKBCHUK
SCHEMBL2820415 0.84 IKBKB (0.48) ALDH1A1CYP1A2MEN1KMT2ACYP3A4
SCHEMBL2815160 0.84 IKBKB (0.47) IKBKBCHUKHTR2CKDM4ETP53
SCHEMBL2816218 0.84 IKBKB (0.47) IKBKBCHUKHTR2CKDM4ETOP2A
SCHEMBL2816959 0.84 IKBKB (0.47) ALDH1A1KMT2AIKBKBCHUKHTR2C
SCHEMBL2815174 0.84 IKBKB (0.48) MEN1KMT2AMAPK1IKBKBCHUK
SCHEMBL2817184 0.83 ADORA2A (0.45) ALDH1A1CLK4MAPK1IKBKBCHUK
SCHEMBL2817762 0.82 IKBKB (0.47) ALDH1A1CYP1A2MEN1KMT2ACYP3A4
SCHEMBL30136943 0.82 IKBKB (0.47) ALDH1A1CYP1A2MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205602-B1 IMIDAZO[1,2-A]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIV MONTPELLIER (FR) 2018-09-26 EP claimed
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 ALDH1A1 657/4885CYP1A2 223/4885MEN1 187/4885

“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.