SCHEMBL16122425

SCHEMBL16122425

N#Cc1c(-c2ccccc2)cc(-c2ccccc2)c(C#N)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.51
ADORA2A P29274 4/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.50
SQOR Q9Y6N5 4/20 0.49
HPGD P15428 7/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
ESR1 P03372 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL16122431 0.90 ADORA1 (0.44) ADORA1ADORA2AMAPK1L3MBTL1ATM
SCHEMBL16122420 0.89 HPGD (0.50) ADORA1ADORA2AMAPK1L3MBTL1ATM
SCHEMBL22512473 0.88 ADORA2A (0.47) ADORA1ADORA2AMAPK1L3MBTL1ATM
SCHEMBL2650918 0.86 ADORA1 (0.48) ADORA1ADORA2AMAPK1L3MBTL1ATM
SCHEMBL2569037 0.80 ALDH1A1 (0.44) ADORA1ADORA2AMAPK1L3MBTL1ATM
SCHEMBL29052685 0.79 ADORA1 (0.49) ADORA1ADORA2AMAPK1L3MBTL1ATM
SCHEMBL6824993 0.79 ALDH1A1 (0.71) ADORA1ADORA2AMAPK1L3MBTL1ATM
SCHEMBL22785937 0.79 ADORA1 (0.51) ADORA1ADORA2AMAPK1L3MBTL1ATM
SCHEMBL16122421 0.79 ALDH1A1 (0.42) ADORA1ADORA2AMAPK1L3MBTL1ATM
SCHEMBL16122541 0.79 GRM5 (0.50) ADORA1ADORA2AMAPK1L3MBTL1ATM

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 6 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
WO-2014146750-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-09-25 WO 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 ADORA1 4713/4885ADORA2A 4286/4885MAPK1 2477/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 ADORA1 4713/4885ADORA2A 4286/4885MAPK1 2477/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 ADORA1 4713/4885ADORA2A 4286/4885MAPK1 2477/4885

“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.