SCHEMBL17546148

SCHEMBL17546148

N#Cc1cc2c(sc3ccccc32)c(C#N)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ALOX5 P09917 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
RAB9A P51151 3/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL17540374 0.77 TNKS (0.36) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL16122442 0.77 TNKS (0.36) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL16122452 0.74 ALDH1A1 (0.40) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL11416167 0.72 GPR3 (0.48) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL3155643 0.72 GPR3 (0.54) GPR3MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL16122348 0.72 GPR3 (0.41) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL17540377 0.70 ALOX5 (0.39) GPR3ALOX5SLC22A12PARP14
SCHEMBL25337040 0.70 GPR3 (0.44) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL22450231 0.70 IMPDH2 (0.36) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL21369775 0.69 ALOX5 (0.50) GPR3MAPTALDH1A1TNKSTNKS2

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 5 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-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

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 GPR3 4615/4885MAPT 1876/4885ALDH1A1 2033/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 GPR3 4615/4885MAPT 1876/4885ALDH1A1 2033/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 GPR3 4615/4885MAPT 1876/4885ALDH1A1 2033/4885

“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.