Sugi Predict

Sugi Predict / Compounds / SCHEMBL2815475

SCHEMBL2815475

SCHEMBL2815475

Nc1nc2ccccc2n2c(-c3ccc([N+](=O)[O-])cc3)cnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.57
▸ RAB9A P51151 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ MAOA P21397 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CFTR P13569 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MMP2 P08253 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
SCHEMBL2820342 0.87 NPC1 (0.49) ADORA2ARAB9AALDH1A1NPC1CFTR
SCHEMBL2817520 0.83 ADORA2A (0.52) ADORA2AALDH1A1RXFP1CYP1A2LMNA
SCHEMBL2814861 0.83 RAB9A (0.49) ADORA2ARAB9AALDH1A1RXFP1PKM
SCHEMBL2814962 0.81 ADORA2A (0.52) ADORA2ARAB9AALDH1A1NOD1NPC1
SCHEMBL2816282 0.81 ALDH1A1 (0.48) ADORA2ARAB9AALDH1A1NOD1NPC1
SCHEMBL2820339 0.81 ADORA2A (0.52) ADORA2ARAB9ANPC1MAPTCYP1A2
SCHEMBL2815629 0.81 IKBKB (0.44) ADORA2ARAB9AALDH1A1RXFP1PKM
SCHEMBL2817187 0.80 ADORA2A (0.43) ADORA2ARAB9AMAOANPC1MEN1
SCHEMBL2819637 0.78 ADORA2A (0.55) ADORA2AALDH1A1RXFP1MAPTLMNA
SCHEMBL2817439 0.78 ADORA2A (0.55) ADORA2ARAB9AALDH1A1MAOANPC1

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-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 ADORA2A 1818/4885RAB9A 639/4885ALDH1A1 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.