SCHEMBL22662003

SCHEMBL22662003

c1ccc(-c2ccc3nc4n(-c5ccccc5)c5ccc(-c6ccc7c(c6)n6c8cc(-c9ccccc9)ccc8nc6n7-c6ccccc6)cc5n4c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.42
ADORA1 P30542 1/20 0.40
AVPR1A P37288 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
BACE1 P56817 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NR3C1 P04150 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL22662006 0.97 ESR1 (0.41) ADORA2BADORA1AVPR1AESR1ESR2
SCHEMBL22662009 0.96 ESR1 (0.42) ADORA2BADORA1AVPR1AESR1ESR2
SCHEMBL22357635 0.95 ADORA2B (0.39) ADORA2BADORA1AVPR1AESR1ESR2
SCHEMBL22662010 0.95 ESR1 (0.44) ADORA2BADORA1AVPR1AESR1ESR2
SCHEMBL22357653 0.95 ADORA2B (0.39) ADORA2BADORA1AVPR1AESR1ESR2
SCHEMBL22357659 0.95 ADORA2B (0.39) ADORA2BADORA1AVPR1AESR1ESR2
SCHEMBL21965598 0.94 ADORA2B (0.46) ADORA2BADORA1AVPR1AESR1ESR2
SCHEMBL22662014 0.93 ESR1 (0.43) ADORA2BADORA1AVPR1AESR1ESR2
SCHEMBL22662004 0.93 ESR1 (0.45) ADORA2BADORA1ESR1ESR2MAPK1
SCHEMBL21348883 0.93 ESR1 (0.43) ADORA2BADORA1AVPR1AESR1ESR2

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-10840459-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-11-17 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-10840459-B2 Organic electroluminescent materials and devices L1CAM, CHRM1, C1S ADORA2B 505/4885ADORA1 469/4885AVPR1A 1537/4885

“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.