SCHEMBL2960296

SCHEMBL2960296

CN(C)c1cccc2c(Br)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
CHEK1 O14757 1/20 0.52
NEK2 P51955 1/20 0.52
LIMK1 P53667 1/20 0.52
DYRK1A Q13627 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
EP300 Q09472 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
EDNRA P25101 9/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MCL1 Q07820 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
SCHEMBL29643330 1.00 CA2 (0.53) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL2949640 0.86 CHEK1 (0.57) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL8720110 0.85 CHEK1 (0.65) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL1489217 0.77 PARP1 (0.54) DYRK1ACYP1A2TDP1GAAKMT2A
SCHEMBL29375428 0.77 PARP1 (0.54) DYRK1ACYP1A2TDP1GAAKMT2A
SCHEMBL23043531 0.77 PARP1 (0.36) CA2EDNRAGAAKMT2APARP1
SCHEMBL29914152 0.77 PARP1 (0.36) CA2EDNRAGAAKMT2APARP1
SCHEMBL27048034 0.77 CA2 (0.37) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL9566860 0.76 MAPT (0.46) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL545805 0.75 ALDH1A1 (0.44) CA2CHEK1NEK2LIMK1DYRK1A

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
EP-3357928-B1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME MAX PLANCK GESELLSCHAFT (DE) 2021-01-06 EP disclosed
EP-3357928-B1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME MAX PLANCK GESELLSCHAFT (DE) 2021-01-06 EP disclosed
US-10174202-B2 Dyes with phosphinic acid, phosphinate, phosphonate and phosphonamidate substituents as auxochromic groups and methods for preparing the same MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2019-01-08 US disclosed
US-10174202-B2 Dyes with phosphinic acid, phosphinate, phosphonate and phosphonamidate substituents as auxochromic groups and methods for preparing the same MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2019-01-08 US disclosed
US-20180223102-A1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2018-08-09 US disclosed
US-20180223102-A1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2018-08-09 US disclosed
EP-3357928-A1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 EP disclosed
EP-3357928-A1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 EP disclosed
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
US-4045458-A FRIEDEL-CRAFTS CATALYSTS KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1977-08-30 US disclosed
US-3930671-A Color former and pressure-sensitive copying paper FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 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-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof GUSB, BLVRB, BCL6 CA2 956/4885CHEK1 3082/4885NEK2 2822/4885
US-10174202-B2 Dyes with phosphinic acid, phosphinate, phosphonate and phosphonamidate substituents as auxochromic groups and methods for preparing the same OXSR1, RER1, CBR3 CA2 696/4885CHEK1 2196/4885NEK2 3941/4885

“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.