SCHEMBL2816951

SCHEMBL2816951

CNc1nc2ccccc2n2c(-c3ccc(C#N)cc3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
IKBKB O14920 5/20 0.44
CHUK O15111 3/20 0.44
TNKS O95271 1/20 0.42
KLK7 P49862 1/20 0.42
TOP2A P11388 1/20 0.41
ADORA2A P29274 1/20 0.41
SRC P12931 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HK1 P19367 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PRF1 P14222 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2817655 0.89 ALDH1A1 (0.51) HTR2CIKBKBCHUKKLK7TOP2A
SCHEMBL2816677 0.86 HTR2C (0.51) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2816389 0.84 HTR2C (0.47) HTR2CIKBKBCHUKTNKSTOP2A
SCHEMBL2818464 0.84 HTR2C (0.47) HTR2CIKBKBCHUKTNKSTOP2A
SCHEMBL2815052 0.84 HTR2C (0.47) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2818724 0.84 IKBKB (0.48) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2818783 0.84 IKBKB (0.46) IKBKBCHUKTNKSADORA2AMEN1
SCHEMBL2813932 0.83 MAPT (0.51) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2817059 0.82 MAPT (0.47) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2819637 0.82 ADORA2A (0.55) ADORA2AKDM4ESMN1; SMN2PRF1ALDH1A1

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 HTR2C 1292/4885IKBKB 855/4885CHUK 409/4885

“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.