SCHEMBL2816945

SCHEMBL2816945

Oc1cccc(-c2cn3c(cnc4ccccc43)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.50
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
FGFR1 P11362 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL2818740 0.86 ADORA2A (0.58) FYNADORA2AADORA1ADORA3FGFR1
SCHEMBL2815669 0.84 KMT2A (0.44) FYNADORA2AADORA1ADORA3FGFR1
SCHEMBL9542204 0.84 BCHE (0.49) ADORA2AADORA1ADORA3LMNA
SCHEMBL9539492 0.84 FGFR1 (0.46) FYNADORA2AADORA1ADORA3FGFR1
SCHEMBL2817811 0.81 ADORA2A (0.64) ADORA2AADORA1ADORA3FGFR1LMNA
SCHEMBL2817465 0.81 ALDH1A3 (0.51) ADORA2AADORA1ADORA3LMNAHSD17B10
SCHEMBL9539655 0.81 IDO1 (0.43) ADORA2AADORA1ADORA3LMNARAB9A
SCHEMBL2815100 0.79 ALDH1A1 (0.41) ADORA2AADORA3LMNAPOLBNFKB1
SCHEMBL9540820 0.78 ADORA2A (0.58) FYNADORA2AADORA1ADORA3LMNA
SCHEMBL2814716 0.76 ADORA2A (0.50) FYNHSD17B1HSD17B2ADORA2AADORA1

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 4 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
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 FYN 3385/4885HSD17B1 3332/4885HSD17B2 3088/4885

“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.