SCHEMBL2961535

SCHEMBL2961535

CN(C)c1ccc(OBOc2ccc(N(C)C)c3ccccc23)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.50
NEK2 P51955 1/20 0.50
LIMK1 P53667 1/20 0.50
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
EP300 Q09472 1/20 0.48
KAT2B Q92831 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL8990307 0.78 CHEK1 (0.73) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29919884 0.78 CHEK1 (0.73) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL904667 0.74 CYP1A2 (0.56) EP300KAT8MAPTLMNAHTT
SCHEMBL16668583 0.69 PKM (0.47) EP300KAT8LMNAKMT2AIDO1
SCHEMBL15901381 0.69 GPR84 (0.39) EP300KAT8MEN1KMT2AIDO1
SCHEMBL8720110 0.69 CHEK1 (0.65) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL1755244 0.69 CYP1A2 (0.62) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29862285 0.69 CYP1A2 (0.62) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL18346844 0.68 LMNA (0.45) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL69495 0.68 TYMS (0.46) CHEK1NEK2LIMK1DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767817-B2 Water soluble boronic acid fluorescent reporter compounds and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-03 US disclosed
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US disclosed
WO-2005024416-A1 WATER SOLUBLE BORONIC ACID FLUORESCENT REPORTER COMPOUNDS AND METHODS OF USE THEREOF WANG BINGHE (US) 2005-03-17 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 (1 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-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof GUSB, BLVRB, BCL6 CHEK1 3082/4885NEK2 2822/4885LIMK1 2468/4885

“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.