SCHEMBL2816804

SCHEMBL2816804

c1ccc(CCNc2nc3ccccc3n3c(CCc4ccccc4)cnc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.60
ADORA1 P30542 3/20 0.60
ADORA3 P0DMS8 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
RXFP1 Q9HBX9 2/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ADORA2A P29274 1/20 0.49
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
APP P05067 4/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PDE5A O76074 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL2820359 0.92 ADORA3 (0.52) MAPK8ADORA1ADORA3NPSR1RXFP1
SCHEMBL2815787 0.86 HTR2C (0.50) MAPK8ADORA1ADORA3NPSR1RXFP1
SCHEMBL2817725 0.85 LMNA (0.48) MAPK8ADORA1ADORA3NPSR1RXFP1
SCHEMBL2816226 0.80 TLR7 (0.48) ADORA1ADORA3SMN1; SMN2ADORA2AHTT
SCHEMBL2818033 0.80 TYMS (0.47) MAPK8ADORA1ADORA3KDM4ESMN1; SMN2
SCHEMBL31047843 0.80 TLR7 (0.48) ADORA1ADORA3SMN1; SMN2ADORA2AHTT
SCHEMBL2815865 0.77 MEN1 (0.41) ADORA2AHTTALDH1A1CYP1A2CYP2C19
SCHEMBL2817490 0.77 MEN1 (0.44) ADORA1ADORA3SMN1; SMN2ADORA2AHTT
SCHEMBL2818076 0.74 HTR3A (0.52) SMN1; SMN2ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL2814584 0.73 IKBKB (0.52) RXFP1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 US 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 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 MAPK8 1243/4885ADORA1 1985/4885ADORA3 2351/4885

“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.