SCHEMBL1092120

SCHEMBL1092120

C[Si](C)(C)c1ccc(-c2cccc(-c3ccc([Si](C)(C)C)cc3)c2N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.39
▸ KDR P35968 7/20 0.37
▸ FLT3 P36888 4/20 0.37
▸ KIT P10721 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ CSF1R P07333 4/20 0.32
▸ FGFR1 P11362 4/20 0.32
▸ LCK P06239 3/20 0.32
▸ PRKACA P17612 3/20 0.32
▸ ROCK1 Q13464 3/20 0.32
▸ AURKB Q96GD4 3/20 0.32
▸ MAP4K4 O95819 3/20 0.32
▸ LTK P29376 3/20 0.32
▸ MAPK8 P45983 3/20 0.32
▸ CSNK1A1 P48729 3/20 0.32
▸ CDK5 Q00535 3/20 0.32
▸ ACVR1 Q04771 3/20 0.32

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
SCHEMBL23421487 0.94 ALDH1A1 (0.43) PTAFRKDRALDH1A1HSD17B10CSF1R
SCHEMBL15453339 0.81 PTAFR (0.42) PTAFRALDH1A1HSD17B10NR1H2NR1H3
SCHEMBL5640059 0.81 ALDH1A1 (0.58) PTAFRALDH1A1HSD17B10NPC1RAB9A
SCHEMBL23421486 0.78 ALDH1A1 (0.50) PTAFRALDH1A1HSD17B10NPC1RAB9A
SCHEMBL5319523 0.76 NOS2 (0.44) PTAFRKDRAURKBAURKACDK2
SCHEMBL6318211 0.75 NPC1 (0.44) KDRFLT3KITALDH1A1HSD17B10
SCHEMBL23420928 0.74 CYP3A4 (0.37) PTAFRALDH1A1HSD17B10NR1H2NR1H3
SCHEMBL3481745 0.74 NR1H2 (0.38) PTAFRNR1H2NR1H3SCN5AACHE
SCHEMBL1599696 0.74 CNR2 (0.43) AURKBMAP4K4MAPK8CDK5CLK4
SCHEMBL13062850 0.74 ENPP1 (0.57) ALDH1A1HSD17B10ENPP3ENPP1RAB9A

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
US-7449601-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-11 — — US claimed
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY 2006-12-14 — — US claimed
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 — — US disclosed
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 — — US disclosed
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids IONKIN ALEX SERGEY 2009-02-26 — — US disclosed
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids IONKIN ALEX SERGEY 2009-02-26 — — US disclosed
US-7449601-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-11 — — US disclosed
US-7449601-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-11 — — US disclosed
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY 2006-12-14 — — 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 (2 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-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids DDT, AHR, DDC PTAFR 1702/4885KDR 2193/4885FLT3 128/4885
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids DDT, AHR, DDC PTAFR 1702/4885KDR 2193/4885FLT3 128/4885

“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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