SCHEMBL2563728

SCHEMBL2563728

Cc1ccccc1Nc1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
GAA P10253 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC2A1 P11166 1/20 0.47
ABCG2 Q9UNQ0 7/20 0.46
ABCB1 P08183 5/20 0.46
DHODH Q02127 1/20 0.44
CYP2A6 P11509 1/20 0.43
TBXA2R P21731 2/20 0.43
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
TSHR P16473 1/20 0.41
ACP1 P24666 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
SCHEMBL108882 0.84 MAPT (0.54) ALDH1A1GAAKDM4EMAPTTDP1
SCHEMBL29653984 0.84 MAPT (0.54) ALDH1A1GAAKDM4EMAPTTDP1
SCHEMBL27420264 0.81 NPC1 (0.44) ALDH1A1GAAKDM4EMAPTTDP1
SCHEMBL16645321 0.81 ABCG2 (0.49) ALDH1A1GAAKDM4EMAPTTDP1
SCHEMBL3958744 0.81 ABCG2 (0.52) ALDH1A1GAAKDM4EMAPTTDP1
SCHEMBL21436780 0.81 SLC2A1 (0.67) ALDH1A1GAAKDM4EMAPTTDP1
SCHEMBL30679771 0.81 SLC2A1 (0.67) ALDH1A1GAAKDM4EMAPTTDP1
SCHEMBL16273178 0.80 KDM4E (0.41) ALDH1A1GAAKDM4EMAPTTDP1
SCHEMBL16481161 0.79 KDM4E (0.49) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL28088224 0.79 ALDH1A1 (0.55) ALDH1A1GAAKDM4EMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370965-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-06-28 US disclosed
US-20220017544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-01-20 US disclosed
EP-3681890-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-08-18 EP disclosed
US-20200291291-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-17 US disclosed
WO-2020045924-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-03-05 WO disclosed
EP-3013787-B1 TRANSITION-METAL-FREE N-ARYLATION OF TERTIARY AMINES USING ARYNES COUNCIL SCIENT IND RES (IN) 2017-08-02 EP disclosed
EP-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed
EP-0252603-A2 Adhesives for ceramics and processes for the bonding of ceramics using same MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-13 EP 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-20200291291-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES TST, MT-ND5, MT-ND4L ALDH1A1 1208/4885GAA 3319/4885KDM4E 2142/4885
US-20220017544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME NR2E3, CBR3, CBR1 ALDH1A1 778/4885GAA 4682/4885KDM4E 2419/4885
US-11370965-B2 Materials for organic electroluminescent devices TST, MT-ND5, MT-ND4L ALDH1A1 1208/4885GAA 3319/4885KDM4E 2142/4885

“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.