SCHEMBL17995356

SCHEMBL17995356

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5Cc5ccccc5-6)c4)n3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
PNMT P11086 1/20 0.41
KDR P35968 1/20 0.40
PRCP P42785 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ANPEP P15144 2/20 0.37
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
SRD5A2 P31213 1/20 0.36
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL25945240 0.95 ADORA2A (0.42) ADORA2AADORA1PNMTKDRPRCP
SCHEMBL25945216 0.91 ADORA2A (0.41) ADORA2AADORA1PNMTKDRPRCP
SCHEMBL17467284 0.91 ADORA2A (0.41) ADORA2AADORA1PNMTKDRPRCP
SCHEMBL17467298 0.91 ADORA2A (0.41) ADORA2AADORA1PNMTKDRPRCP
SCHEMBL17467269 0.90 ADORA2A (0.40) ADORA2AADORA1PNMTKDRPRCP
SCHEMBL17467261 0.90 ADORA2A (0.42) ADORA2AADORA1PNMTKDRPRCP
SCHEMBL17467283 0.90 ADORA2A (0.42) ADORA2AADORA1PNMTKDRPRCP
SCHEMBL17299028 0.89 ADORA2A (0.38) ADORA2AADORA1PNMTKDRL3MBTL1
SCHEMBL20706111 0.89 ADORA2A (0.46) ADORA2AADORA1PNMTKDRPRCP
SCHEMBL17995350 0.89 ADORA2A (0.46) ADORA2AADORA1PNMTKDRPRCP

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-20160233429-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-08-11 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-20160233429-A1 Organic Electroluminescent Materials and Devices NBAS, TBCB, SLC1A2 ADORA2A 1154/4885ADORA1 2377/4885PNMT 360/4885

“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.