SCHEMBL17540374

SCHEMBL17540374

N#Cc1cc(C#N)c2sc3ccccc3c2c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
GPR3 P46089 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
PTPN1 P18031 1/20 0.33
SLC9A1 P19634 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HCRTR1 O43613 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CLK1 P49759 1/20 0.31

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
SCHEMBL16122442 0.88 TNKS (0.36) TNKSTNKS2GPR3EGLN1PTPN1
SCHEMBL16122452 0.87 ALDH1A1 (0.40) TNKSTNKS2GPR3EGLN1PTPN1
SCHEMBL17546148 0.77 GPR3 (0.38) TNKSTNKS2GPR3EGLN1SLC9A1
SCHEMBL24523923 0.73 RAB9A (0.34) TNKSTNKS2GPR3EGLN1PTPN1
SCHEMBL17891973 0.72 GPR3 (0.46) TNKSTNKS2GPR3PTPN1MAPT
SCHEMBL18098707 0.72 KDM4E (0.40) TNKSTNKS2EGLN1PTPN1MAPT
SCHEMBL22379186 0.71 SLC9A1 (0.40) TNKSTNKS2GPR3EGLN1PTPN1
SCHEMBL17010959 0.71 GPR3 (0.60) TNKSTNKS2GPR3PTPN1MAPT
SCHEMBL22379171 0.71 PTPN1 (0.38) TNKSTNKS2GPR3EGLN1PTPN1
SCHEMBL22450497 0.71 IMPDH2 (0.33) TNKSTNKS2EGLN1MAPTMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976322-B1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-11-20 EP disclosed
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 US disclosed
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 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 (3 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-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 TNKS 3487/4885TNKS2 3355/4885GPR3 4615/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 TNKS 3487/4885TNKS2 3355/4885GPR3 4615/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 TNKS 3487/4885TNKS2 3355/4885GPR3 4615/4885

“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.