SCHEMBL840344

SCHEMBL840344

CC(C)(O)C(C)(C)OB(O)c1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
PDK2 Q15119 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
MAOA P21397 1/20 0.33
HTR2B P41595 1/20 0.33
HSD11B1 P28845 1/20 0.33
HTT P42858 1/20 0.32
AR P10275 3/20 0.32

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
SCHEMBL539849 0.80 AR (0.35) AR
SCHEMBL17099864 0.80 LATS1 (0.33) HTT
SCHEMBL2722151 0.80 AR (0.35) AR
SCHEMBL15051595 0.80 KMT2A (0.34) ALDH1A1SMN1; SMN2HTT
SCHEMBL5899432 0.78 TSHR (0.36) TSHRALDH1A1KDM4ENPC1TP53
SCHEMBL3229542 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22684752 0.77 ENPP2 (0.33) TSHRENPP2
SCHEMBL15873452 0.77 AR (0.34) PDK2PDK1PDK3PDK4HSD11B1
SCHEMBL18836658 0.77 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL840950 0.76 ENPP2 (0.32) ALDH1A1SMN1; SMN2ADRA2BENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059207-A1 6,6-FUSED HETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS 858 THERAPEUTICS, INC. 2025-02-20 US disclosed
US-20240199525-A1 SHP2-Targeting Small Molecules For Use As Anti-Cancer Agents WEST VIRGINIA UNIV BOARD OF GOVERNORS ON BEHALF OF WEST VIRGINIA UNIV (US) 2024-06-20 US disclosed
CN-117751099-A Amide compound and application thereof 中国药科大学 2024-03-22 CN disclosed
WO-2023129933-A2 6,6-FUSED HETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS 858 THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
CN-110545811-B Remote heteroarene alkylation using a catalytic bifunctional template 斯克利普斯研究院 2023-02-14 CN disclosed
US-20220227751-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GALAPAGOS NV (BE) 2022-07-21 US disclosed
EP-4019519-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-06-29 EP disclosed
EP-3378862-B1 DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF MULTIPLE SCLEROSIS GALAPAGOS NV (BE) 2022-03-16 EP disclosed
US-11220499-B2 Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2022-01-11 US disclosed
EP-3569606-B1 METAL COMPLEXES OF CYCLOMETALLATED IMIDAZO (1,2-F)PHENANTHRIDINE AND DIIMIDAZO (1,2-A; 1', 2'-C)QUINAZOLINE LIGANDS AND ISOELECTRONIC AND BENZANNULATED ANALOGS THEREOF UNIVERSAL DISPLAY CORP (US) 2022-01-05 EP disclosed
WO-2008156879-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2008-12-24 WO disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 US disclosed
EP-1981898-A2 METAL COMPLEXES OF CYCLOMETALLATED IMIDAZOÝ1,2-f¨PHENANTHRIDINE AND DIIMIDAZOÝ1,2-A:1',2'-C¨QUINAZOLINE LIGANDS AND ISOELECTRONIC AND BENZANNULATED ANALOGS THEREOF Universal Display Corporation (US) 2008-10-22 EP disclosed
WO-2007095118-A2 METAL COMPLEXES OF CYCLOMETALLATED IMIDAZO[1,2-f]PHENANTHRIDINE AND DIIMIDAZO[1,2-A:1',2'-C]QUINAZOLINE LIGANDS AND ISOELECTRONIC AND BENZANNULATED ANALOGS THEREOF UNIVERSAL DISPLAY CORPORATION (US) 2007-08-23 WO disclosed
US-20070190359-A1 Metal complexes of cyclometallated imidazo[1,2-ƒ]phenanthridine and diimidazo[1,2-a:1',2'-c]quinazoline ligands and isoelectronic and benzannulated analogs thereof UNIVERSAL DISPLAY CORPORATION 2007-08-16 US disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (7 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-20250059207-A1 6,6-FUSED HETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS METTL3, METTL16, TPMT TSHR 1843/4885PDK2 2146/4885PDK1 1250/4885
US-20220227751-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GPR84, GPR88, GPR65 TSHR 846/4885PDK2 881/4885PDK1 654/4885
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS IK, CRY1, MAP1LC3C TSHR 4444/4885PDK2 693/4885PDK1 1910/4885
US-20240199525-A1 SHP2-Targeting Small Molecules For Use As Anti-Cancer Agents PTPRO, PTPRC, PTPRCAP TSHR 1156/4885PDK2 3091/4885PDK1 1004/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A TSHR 4624/4885PDK2 20/4885PDK1 198/4885
US-11220499-B2 Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GPR84, GPR88, GPR65 TSHR 888/4885PDK2 773/4885PDK1 579/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 TSHR 4667/4885PDK2 23/4885PDK1 202/4885

“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.