SCHEMBL2818724

SCHEMBL2818724

CNc1nc2ccccc2n2c(-c3ccc(Br)cc3)cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 6/20 0.48
▸ HTR2C P28335 1/20 0.47
▸ CHUK O15111 4/20 0.46
▸ TOP2A P11388 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL2816677 0.90 HTR2C (0.51) IKBKBHTR2CCHUKTOP2ALCK
SCHEMBL2818464 0.88 HTR2C (0.47) IKBKBHTR2CCHUKTOP2ALCK
SCHEMBL2816389 0.88 HTR2C (0.47) IKBKBHTR2CCHUKTOP2ALCK
SCHEMBL2815052 0.88 HTR2C (0.47) IKBKBHTR2CCHUKTOP2ALCK
SCHEMBL2815174 0.87 IKBKB (0.48) IKBKBHTR2CCHUKTOP2ALCK
SCHEMBL2817059 0.85 MAPT (0.47) IKBKBHTR2CCHUKTOP2ASMN1; SMN2
SCHEMBL2816951 0.84 HTR2C (0.44) IKBKBHTR2CCHUKTOP2ALCK
SCHEMBL2818524 0.84 HTR2C (0.44) IKBKBHTR2CCHUKTOP2ASMN1; SMN2
SCHEMBL2813932 0.83 MAPT (0.51) IKBKBHTR2CCHUKTOP2ASMN1; SMN2
SCHEMBL2815092 0.83 IKBKB (0.46) IKBKBHTR2CCHUKTOP2ASMN1; SMN2

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
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
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 IKBKB 855/4885HTR2C 1292/4885CHUK 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.

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