SCHEMBL16919875

SCHEMBL16919875

Cc1ccnc2c1sc1ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 6/20 0.55
LIMK1 P53667 2/20 0.55
CDC7 O00311 1/20 0.55
DBF4 Q9UBU7 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
HSP90AA1 P07900 1/20 0.46
CCR1 P32246 3/20 0.45
CCR8 P51685 3/20 0.45
CCR5 P51681 2/20 0.45
PIK3CA P42336 1/20 0.45
PSMD14 O00487 2/20 0.42
COPS5 Q92905 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTT P42858 1/20 0.42
EGFR P00533 1/20 0.42
TLR5 O60602 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL16281249 0.81 CLK1 (0.67) CLK1LIMK1CDC7DBF4L3MBTL1
SCHEMBL16283920 0.79 LIMK1 (0.50) CLK1LIMK1CDC7DBF4L3MBTL1
SCHEMBL19039387 0.79 PSMD14 (0.49) LIMK1L3MBTL1NPC1HSP90AA1CCR1
SCHEMBL13209223 0.77 LIMK1 (0.51) LIMK1L3MBTL1CCR1CCR8CCR5
SCHEMBL16922284 0.77 LIMK1 (0.49) CLK1LIMK1CDC7DBF4L3MBTL1
SCHEMBL16919865 0.75 LIMK1 (0.56) CLK1LIMK1L3MBTL1NPC1HSP90AA1
SCHEMBL21101382 0.75 CCR1 (0.52) CLK1LIMK1L3MBTL1NPC1HSP90AA1
SCHEMBL16919867 0.74 LIMK1 (0.42) CLK1LIMK1CDC7DBF4L3MBTL1
SCHEMBL24623623 0.74 LIMK1 (0.51) CLK1LIMK1CDC7DBF4L3MBTL1
SCHEMBL11884995 0.72 LIMK1 (0.50) CLK1LIMK1CDC7DBF4L3MBTL1

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-9755159-B2 Organic materials for OLEDs UNIVERSAL DISPLAY CORPORATION (US) 2017-09-05 US disclosed
US-9502656-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-22 US disclosed
US-20150243893-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-27 US disclosed
US-20150207082-A1 ORGANIC MATERIALS FOR OLEDS UNIVERSAL DISPLAY CORPORATION (US) 2015-07-23 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-20150207082-A1 ORGANIC MATERIALS FOR OLEDS OCIAD1, OCIAD2, SLC25A21 CLK1 4770/4885LIMK1 4180/4885CDC7 1523/4885

“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.