SCHEMBL76545

SCHEMBL76545

C[Si](C)(C)C#Cc1ccnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.47
AXL P30530 2/20 0.47
AURKB Q96GD4 3/20 0.42
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
ROCK1 Q13464 2/20 0.42
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
IGF1R P08069 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
FLT1 P17948 1/20 0.42
LTK P29376 1/20 0.42

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
SCHEMBL31140652 0.83 PRKCI (0.44) PRKCIAXLAURKBJAK2JAK3
SCHEMBL25237197 0.83 PRKCI (0.44) PRKCIAXLAURKBJAK2JAK3
SCHEMBL1329786 0.77 PRKCI (0.47) PRKCIAXLAURKBJAK2JAK3
SCHEMBL1328230 0.76 PRKCI (0.51) PRKCIAXLAURKBJAK2JAK3
SCHEMBL1328009 0.76 PRKCI (0.44) PRKCIAXLAURKBJAK2JAK3
SCHEMBL1328408 0.76 ROCK1 (0.46) PRKCIAXLAURKBJAK2JAK3
SCHEMBL1328465 0.76 PRKCI (0.44) PRKCIAXLAURKBJAK2JAK3
SCHEMBL857174 0.75 JAK2 (0.53) PRKCIAXLAURKBJAK2JAK3
SCHEMBL1328069 0.75 PRKCI (0.46) PRKCIAXLAURKBJAK2JAK3
SCHEMBL78242 0.75 LRRK2 (0.56) PRKCIAXLAURKBJAK2JAK3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111416154-B Silicon-based pyridine additive for high-voltage lithium ion battery electrolyte, electrolyte and battery 松山湖材料实验室 2021-08-06 CN claimed
CN-111416154-A Silicon-based pyridine additive for high-voltage lithium ion battery electrolyte, electrolyte and battery 松山湖材料实验室 2020-07-14 CN claimed
CN-111416154-B Silicon-based pyridine additive for high-voltage lithium ion battery electrolyte, electrolyte and battery 松山湖材料实验室 2021-08-06 CN disclosed
CN-111416154-A Silicon-based pyridine additive for high-voltage lithium ion battery electrolyte, electrolyte and battery 松山湖材料实验室 2020-07-14 CN disclosed
US-20120165366-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2012-06-28 US disclosed
US-20120165366-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2012-06-28 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-8129404-B2 Compounds and uses thereof PLEXXIKON INC. (US) 2012-03-06 US disclosed
US-8129404-B2 Compounds and uses thereof PLEXXIKON INC. (US) 2012-03-06 US disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
US-20100234418-A1 COMPOUNDS AND USES THEREOF PLEXXIKON, INC. 2010-09-16 US disclosed
US-20100234418-A1 COMPOUNDS AND USES THEREOF PLEXXIKON, INC. 2010-09-16 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 (4 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-20100234418-A1 COMPOUNDS AND USES THEREOF BRAF, PKD1, RAF1 PRKCI 245/4885AXL 100/4885AURKB 768/4885
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF PRKCI 276/4885AXL 470/4885AURKB 1197/4885
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 PRKCI 46/4885AXL 383/4885AURKB 296/4885
US-20120165366-A1 COMPOUNDS AND USES THEREOF BRAF, PKD1, RAF1 PRKCI 245/4885AXL 100/4885AURKB 768/4885

“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.