SCHEMBL2817465

SCHEMBL2817465

N#Cc1cccc(-c2cn3c(cnc4ccccc43)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.51
ADORA2A P29274 3/20 0.46
GRM5 P41594 4/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA1 P14867 1/20 0.44
EGLN2 Q96KS0 1/20 0.43
IDO1 P14902 1/20 0.43
CFTR P13569 1/20 0.42
CLK4 Q9HAZ1 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 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
SCHEMBL9542204 0.81 BCHE (0.49) ADORA2AEGLN2IDO1ALDH1A1MEN1
SCHEMBL9539492 0.81 FGFR1 (0.46) ADORA2AEGLN2IDO1CLK4ALDH1A1
SCHEMBL2816945 0.81 FYN (0.50) ADORA2ALMNAHSD17B10ADORA1ADORA3
SCHEMBL2817849 0.78 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL2817811 0.78 ADORA2A (0.64) ALDH1A3ADORA2ACLK4ALDH1A1LMNA
SCHEMBL9539655 0.78 IDO1 (0.43) ADORA2AIDO1ALDH1A1LMNAKDM4E
SCHEMBL2818300 0.76 ALDH1A1 (0.52) ALDH1A3ADORA2ACFTRCLK4ALDH1A1
SCHEMBL10730849 0.76 ALDH1A1 (0.42) ADORA2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL2818740 0.75 ADORA2A (0.58) ADORA2AALDH1A1MEN1LMNAKMT2A
SCHEMBL9540820 0.75 ADORA2A (0.58) ALDH1A3ADORA2AALDH1A1MEN1LMNA

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 1 patent. 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

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 ALDH1A3 2225/4885ADORA2A 1818/4885GRM5 1775/4885

“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.