SCHEMBL17540367

SCHEMBL17540367

Cc1c(C#N)cc(-c2ccccc2)c(F)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HPGD P15428 5/20 0.49
KDM4E B2RXH2 5/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
GALR3 O60755 1/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM6 O15303 1/20 0.44
SQOR Q9Y6N5 3/20 0.43
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41

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
SCHEMBL30609601 0.83 ALDH1A1 (0.42) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL16122525 0.83 ALDH1A1 (0.42) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL28367456 0.83 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL17337245 0.83 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL22512473 0.82 ADORA2A (0.47) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL17545814 0.82 ADORA2A (0.43) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL21188878 0.77 GRM6 (0.47) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL16122062 0.77 MEN1 (0.47) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL16122477 0.77 ADORA2A (0.44) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL27807209 0.75 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ECYP1A2CYP2C9

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 ALDH1A1 2033/4885HPGD 552/4885KDM4E 2761/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 ALDH1A1 2033/4885HPGD 552/4885KDM4E 2761/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 ALDH1A1 2033/4885HPGD 552/4885KDM4E 2761/4885

“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.