SCHEMBL16122334

SCHEMBL16122334

CC(C)(C)c1ccc(-c2cc(C#N)cc(C#N)c2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.53
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PGGT1B P53609 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ SQOR Q9Y6N5 1/20 0.35
▸ GCGR P47871 1/20 0.34
▸ CSNK1D P48730 2/20 0.33
▸ CSNK1G2 P78368 2/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ STS P08842 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ EPHX2 P34913 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
SCHEMBL16122531 0.79 METAP2 (0.45) CYP11B1CYP11B2ARKDM4EALDH1A1
SCHEMBL30395197 0.77 KIF11 (0.57) KIF11GRM2PTPN5CSNK1DCSNK1G2
SCHEMBL17545813 0.76 TRPV4 (0.35) STSCYP11B1CYP11B2
SCHEMBL16122715 0.76 GRM5 (0.39) CYP11B1CYP11B2ARKDM4ENPSR1
SCHEMBL17546156 0.75 AR (0.40) STSCYP11B1CYP11B2AR
SCHEMBL12173597 0.74 KIF11 (0.53) KIF11AKR1C3AKR1C2GRM2PTPN5
SCHEMBL19735236 0.73 KIF11 (0.74) KIF11AKR1C2PTPN5CSNK1DCSNK1G2
SCHEMBL24017224 0.73 KIF11 (0.62) KIF11FNTAFNTBPGGT1BCSNK1D
SCHEMBL24017211 0.73 KIF11 (0.62) KIF11FNTAFNTBPGGT1BCSNK1D
SCHEMBL16122302 0.73 MAP4K4 (0.38) CYP11B1CYP11B2ARKDM4ENPSR1

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 9 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
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 KIF11 3709/4885FNTA 1093/4885FNTB 383/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 KIF11 3709/4885FNTA 1093/4885FNTB 383/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 KIF11 3709/4885FNTA 1093/4885FNTB 383/4885

“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.

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