SCHEMBL17540377

SCHEMBL17540377

N#Cc1ccc(F)c(C#N)c1-c1cccc2c1sc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PARP14 Q460N5 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
PRKDC P78527 8/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
BRD4 O60885 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
KCNH2 Q12809 1/20 0.33
BRDT Q58F21 1/20 0.33
GPR3 P46089 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PDK2 Q15119 1/20 0.32
MAPK10 P53779 1/20 0.30
CUL4A Q13619 1/20 0.30

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
SCHEMBL29345479 0.85 ALOX5 (0.42) ALOX5PARP14SLC22A12PRKDCPIK3CD
SCHEMBL21293788 0.81 PARP14 (0.45) ALOX5PARP14SLC22A12PRKDCPIK3CD
SCHEMBL21692631 0.78 PARP14 (0.40) ALOX5PARP14SLC22A12PRKDCPIK3CD
SCHEMBL21691635 0.77 ALOX5 (0.45) ALOX5PARP14SLC22A12PRKDCPIK3CD
SCHEMBL29345442 0.77 ALOX5 (0.42) ALOX5PARP14PRKDCGPR3
SCHEMBL25044101 0.77 ALOX5 (0.43) ALOX5PARP14SLC22A12PRKDCPIK3CD
SCHEMBL21691646 0.76 ALOX5 (0.47) ALOX5PARP14SLC22A12PRKDCPIK3CD
SCHEMBL21691826 0.75 PARP14 (0.45) ALOX5PARP14SLC22A12PRKDCPIK3CD
SCHEMBL21369775 0.75 ALOX5 (0.50) ALOX5PARP14SLC22A12PRKDCPIK3CD
SCHEMBL21692487 0.75 ALOX5 (0.51) ALOX5PARP14SLC22A12PRKDCPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALOX5 1782/4885PARP14 1942/4885SLC22A12 3358/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 ALOX5 1782/4885PARP14 1942/4885SLC22A12 3358/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 ALOX5 1782/4885PARP14 1942/4885SLC22A12 3358/4885

“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.