SCHEMBL5784673

SCHEMBL5784673

N#Cc1cccc(C#N)c1B(O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.43
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR2 Q92731 1/20 0.38
MCL1 Q07820 1/20 0.35
HTT P42858 1/20 0.35
PDK2 Q15119 1/20 0.33
MAP2K1 Q02750 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CXCR2 P25025 1/20 0.33

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
SCHEMBL25493988 0.87 ENPP2 (0.38) ENPP2TSHRCA1CA2ESR2
SCHEMBL1668130 0.85 ENPP2 (0.37) ENPP2TSHRCA1CA2ESR2
SCHEMBL29950680 0.85 DYRK1A (0.41) ENPP2TSHRCA1CA2ESR2
SCHEMBL29741613 0.85 TSHR (0.54) ENPP2TSHRCA1CA2ESR2
SCHEMBL29950793 0.85 ENPP2 (0.37) ENPP2TSHRCA1CA2ESR2
SCHEMBL17629928 0.80 ALDH1A1 (0.40) TSHRCA1CA2HTTNOTUM
SCHEMBL8849581 0.80 ESR2 (0.49) TSHRCA1CA2ESR2PDK2
SCHEMBL4335270 0.80 ENPP2 (0.46) ENPP2TSHRKDM4EALDH1A1
SCHEMBL29952058 0.80 ENPP2 (0.46) ENPP2TSHRKDM4EALDH1A1
SCHEMBL29468918 0.73 TSHR (0.50) ENPP2TSHRCA1CA2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3597645-B1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2024-05-08 EP disclosed
CN-110734418-B Condensed-cyclic compound, composition including the same, and organic light-emitting device 三星电子株式会社 2024-01-26 CN disclosed
US-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 US disclosed
CN-110734418-A Fused ring compound, and composition and organic light-emitting device including same 三星电子株式会社 2020-01-31 CN disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 US disclosed
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
EP-1049662-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999036393-A1 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1999-07-22 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 (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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 ENPP2 3229/4885TSHR 3598/4885CA1 2403/4885
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 ENPP2 3126/4885TSHR 2994/4885CA1 1768/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 ENPP2 3229/4885TSHR 3598/4885CA1 2403/4885

“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.