SCHEMBL21164709

SCHEMBL21164709

c1ccc(-c2ccc(-c3cccc4c3[nH]c3ncccc34)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.51
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
AURKA O14965 1/20 0.47
PARP1 P09874 1/20 0.47
MAP4K4 O95819 2/20 0.45
CSF1R P07333 2/20 0.45
FGFR1 P11362 2/20 0.45
LTK P29376 2/20 0.45
KDR P35968 2/20 0.45
MAPK8 P45983 2/20 0.45
CSNK1A1 P48729 2/20 0.45
CDK5 Q00535 2/20 0.45
ACVR1 Q04771 2/20 0.45
AURKB Q96GD4 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
PDGFRA P16234 1/20 0.45
LIMK1 P53667 1/20 0.45
TNK2 Q07912 1/20 0.45

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
SCHEMBL18253303 0.91 PDK2 (0.49) PDK2ADORA2AADORA1AURKAPARP1
SCHEMBL18253312 0.89 PDK2 (0.45) PDK2ADORA2AADORA1AURKAPARP1
SCHEMBL26551074 0.81 PDK2 (0.43) PDK2AURKAPARP1CDK5ACVR1
SCHEMBL646449 0.79 GABRA1 (0.47) ADORA2AADORA1AURKAPARP1MAP4K4
SCHEMBL18253315 0.79 ESR1 (0.44) PDK2PRKACAROCK1MAPT
SCHEMBL19893738 0.78 FEN1 (0.56) PARP1MAP4K4CSF1RFGFR1LTK
SCHEMBL29539083 0.78 FEN1 (0.56) PARP1MAP4K4CSF1RFGFR1LTK
SCHEMBL4414582 0.76 PDK2 (0.58) PDK2MAP4K4CSF1RFGFR1LTK
SCHEMBL12093381 0.74 ADORA2A (0.51) ADORA2AADORA1AURKAPARP1JAK2
SCHEMBL17969001 0.74 CDK4 (0.54) MAP4K4CSF1RFGFR1LTKKDR

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-10355222-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-07-16 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-10355222-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, OPRD1 PDK2 349/4885ADORA2A 2517/4885ADORA1 3216/4885

“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.