SCHEMBL2818115

SCHEMBL2818115

Clc1nc2ccccc2n2c(-c3ccccc3)cnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.58
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 1/20 0.41
ADORA2A P29274 2/20 0.40
LMNA P02545 4/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE6D O43924 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2814886 0.89 TYMS (0.47) TYMSKDM4EALDH1A1HPGDPOLB
SCHEMBL2816223 0.85 ALDH1A1 (0.46) TYMSKDM4EALDH1A1HPGDADORA2A
SCHEMBL2816016 0.85 TYMS (0.47) TYMSPOLBHSD17B10LMNATP53
SCHEMBL2820689 0.82 ADORA2A (0.47) TYMSKDM4EADORA2ATP53MAPT
SCHEMBL13131268 0.82 KDM4E (0.48) TYMSKDM4EALDH1A1HPGDPOLB
SCHEMBL2817520 0.82 ADORA2A (0.52) TYMSKDM4EALDH1A1HPGDPOLB
SCHEMBL2817813 0.80 TYMS (0.44) TYMSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2817449 0.78 IKBKB (0.50) TYMSKDM4EALDH1A1HPGDPOLB
SCHEMBL2816677 0.78 HTR2C (0.51) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL15940871 0.78 CYP1A2 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A

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 TYMS 160/4885KDM4E 2878/4885ALDH1A1 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.