SCHEMBL2814275

SCHEMBL2814275

CC(C)C[C@@H](O)CNc1nc2ccccc2nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.39
▸ RXFP1 Q9HBX9 6/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ BCHE P06276 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ PGK1 P00558 1/20 0.35

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
SCHEMBL2815178 1.00 KDM4E (0.51) KDM4EL3MBTL1NPSR1TDP1RXFP1
SCHEMBL3646261 0.83 KDM4E (0.51) KDM4EL3MBTL1NPSR1TDP1RXFP1
SCHEMBL13883984 0.79 KDM4E (0.53) KDM4EL3MBTL1NPSR1TDP1RXFP1
SCHEMBL2815998 0.78 KDM4E (0.46) KDM4EL3MBTL1NPSR1TDP1RXFP1
SCHEMBL2815859 0.78 KDM4E (0.46) KDM4EL3MBTL1NPSR1TDP1RXFP1
SCHEMBL3655710 0.75 KDM4E (0.49) KDM4EL3MBTL1NPSR1TDP1RXFP1
SCHEMBL8111822 0.75 KDM4E (0.55) KDM4EL3MBTL1NPSR1TDP1RXFP1
SCHEMBL2321907 0.74 KDM4E (0.48) KDM4EL3MBTL1NPSR1ALDH1A1MAPK1
SCHEMBL2815065 0.73 KDM4E (0.50) KDM4EL3MBTL1NPSR1TDP1RXFP1
SCHEMBL17014813 0.73 KDM4E (0.70) KDM4EL3MBTL1NPSR1TDP1RXFP1

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 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
EP-2205602-A1 IMIDAZOÝL,2- ¨QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS Université de Montpellier I (FR) 2010-07-14 — — EP disclosed
WO-2009043934-A1 IMIDAZO[L,2-α]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIVERSITE DE MONTPELLIER I (FR) 2009-04-09 — — WO 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 KDM4E 2878/4885L3MBTL1 3674/4885NPSR1 4376/4885

“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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