SCHEMBL856485

SCHEMBL856485

OB(O)c1ccc2nccnc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.55
TTR P02766 3/20 0.45
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 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
SCHEMBL29952242 1.00 ENPP2 (0.55) ENPP2TTRCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL994032 0.98 ENPP2 (0.53) ENPP2TTRCA2CA1ALDH1A1
SCHEMBL14421550 0.81 KMT2A (0.37) ENPP2ALDH1A1MAPTHPGDMEN1
SCHEMBL12419218 0.77 KMT2A (0.39) ENPP2ALDH1A1MAPTHPGDMEN1
SCHEMBL360458 0.75 NPC1 (0.57) ENPP2CA2CA1ALDH1A1MAPT
SCHEMBL3719246 0.75 ALDH1A1 (0.39) ENPP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL317300 0.75 ALDH1A1 (0.58) ENPP2CA2CA1ALDH1A1MAPT
SCHEMBL29952779 0.75 NPC1 (0.57) ENPP2CA2CA1ALDH1A1MAPT
SCHEMBL29953773 0.74 ENPP2 (0.43) ENPP2TTRCA2CA1MAPT
Hydrochloric Acid SCHEMBL12506154 0.74 ALDH1A1 (0.56) ENPP2CA2CA1ALDH1A1MAPT

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11495769-B2 Inorganic light emitting diode and inorganic light emitting device including the same LG DISPLAY CO., LTD. (KR) 2022-11-08 US claimed
US-20210167321-A1 INORGANIC LIGHT EMITTING DIODE AND INORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-06-03 US claimed
CN-119707864-A Compound, luminescent layer main body material and organic electroluminescent device 北京师范大学 2025-03-28 CN disclosed
WO-2024253416-A1 PYRIMIDINE/PYRIDINE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2024-12-12 WO disclosed
EP-4447963-A1 SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2024-10-23 EP disclosed
US-20240336568-A1 SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2024-10-10 US disclosed
CN-118715015-A Selective PHD1 inhibitor compounds, compositions and methods of use 阿克比治疗有限公司 2024-09-27 CN disclosed
CN-113906022-B Pyrazolopyridines and triazolopyridines as A2A/A2B inhibitors 因赛特公司 2024-08-09 CN disclosed
CN-115504973-B Benzisoxazole compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-05-14 CN disclosed
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-03-28 US disclosed
EP-3917925-B1 PYRAZOLOPYRIDINES AND TRIAZOLOPYRIDINES AS A2A / A2B INHIBITORS INCYTE CORP (US) 2024-03-13 EP disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
EP-2376408-A2 FLUORINATION OF ORGANIC COMPOUNDS President and Fellows of Harvard College (US) 2011-10-19 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
WO-2010059943-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 WO disclosed
WO-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 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 (6 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA ENPP2 1476/4885TTR 4875/4885CA2 428/4885
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 ENPP2 3381/4885TTR 1736/4885CA2 2244/4885
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ ENPP2 162/4885TTR 1901/4885CA2 2642/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 ENPP2 1418/4885TTR 2652/4885CA2 1319/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS ENPP2 3407/4885TTR 2800/4885CA2 2675/4885
US-20240336568-A1 SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HIF1AN, EGLN1, EGLN2 ENPP2 2134/4885TTR 4577/4885CA2 1077/4885

“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.