SCHEMBL2817449

SCHEMBL2817449

COc1nc2ccccc2n2c(-c3ccccc3)cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.50
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
TYMS P04818 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PDE2A O00408 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
SCHEMBL2819621 0.91 FLT3 (0.47) ALDH1A1HSD17B10POLBKDM4EHPGD
SCHEMBL2817616 0.90 IKBKB (0.41) IKBKBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2815094 0.87 ADORA2A (0.47) IKBKBALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL2815424 0.86 IKBKB (0.47) IKBKBPOLBADORA2AADORA1TP53
SCHEMBL2820672 0.83 PDE2A (0.52) IKBKBALDH1A1KMT2AMEN1KDM4E
SCHEMBL2819649 0.82 MAPT (0.42) IKBKBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13131268 0.81 KDM4E (0.48) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL2815660 0.79 PDE2A (0.46) IKBKBALDH1A1HSD17B10KMT2AMEN1
SCHEMBL2817520 0.78 ADORA2A (0.52) IKBKBALDH1A1CYP1A2HSD17B10POLB
SCHEMBL2818115 0.78 TYMS (0.58) ALDH1A1HSD17B10POLBKMT2AMEN1

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 IKBKB 855/4885ALDH1A1 657/4885CYP1A2 223/4885

“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.