SCHEMBL4149733

SCHEMBL4149733

C=Cc1ccc2c(c1)CCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.57
DYRK1B Q9Y463 9/20 0.57
DYRK2 Q92630 6/20 0.57
CLK1 P49759 6/20 0.49
CLK2 P49760 4/20 0.48
CLK3 P49761 2/20 0.48
CSNK2A2 P19784 2/20 0.48
CSNK2B P67870 2/20 0.48
CSNK2A1 P68400 2/20 0.48
PIK3CA P42336 1/20 0.48
PRKCI P41743 1/20 0.47
ERN1 O75460 1/20 0.43
DYRK3 O43781 4/20 0.41
CLK4 Q9HAZ1 3/20 0.41
DYRK4 Q9NR20 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 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
SCHEMBL2142665 0.89 DYRK1A (0.57) DYRK1ADYRK1BDYRK2CLK1CLK2
SCHEMBL14103572 0.85 DYRK1A (0.41) DYRK1ADYRK1BDYRK2CLK1CLK2
SCHEMBL24773524 0.83 DYRK1A (0.49) DYRK1ADYRK1BDYRK2CLK1CLK2
SCHEMBL26223712 0.83 DYRK1A (0.52) DYRK1ADYRK1BDYRK2CLK1CLK2
SCHEMBL20558808 0.81 DYRK1A (0.57) DYRK1ADYRK1BDYRK2CLK1CLK2
SCHEMBL339129 0.81 DYRK1A (0.61) DYRK1ADYRK1BDYRK2CLK1CLK2
SCHEMBL14041199 0.80 DYRK1A (0.53) DYRK1ADYRK1BDYRK2CLK1CLK2
SCHEMBL11981321 0.78 CYP3A4 (0.56) DYRK1ADYRK1BDYRK2CLK1CLK2
SCHEMBL15965547 0.78 DYRK1A (0.54) DYRK1ADYRK1BDYRK2CLK1CLK2
SCHEMBL17821835 0.78 DYRK1A (0.54) DYRK1ADYRK1BDYRK2CLK1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
EP-2238129-B1 A METHOD FOR THE PREPARATION OF DARIFENACIN HYDROGEN BROMIDE ZENTIVA KS (CZ) 2011-08-17 EP disclosed
US-20100317871-A1 METHOD FOR THE PREPARATION OF DARIFENACIN HYDROGEN BROMIDE ZENTIVA K.S. (CZ) 2010-12-16 US disclosed
US-20100317871-A1 METHOD FOR THE PREPARATION OF DARIFENACIN HYDROGEN BROMIDE ZENTIVA K.S. (CZ) 2010-12-16 US disclosed
US-7816539-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2010-10-19 US disclosed
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 US disclosed
WO-2009094957-A1 A METHOD FOR THE PREPARATION OF DARIFENACIN HYDROGEN BROMIDE ZENTIVA, K.S. (CZ) 2009-08-06 WO disclosed
US-7501525-B2 Derivatives of benzimidazole and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-10 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
WO-2008094319-A2 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYTEM (US) 2008-08-07 WO disclosed
US-20080139619-A1 Novel derivatives of benzimidazale and imidazo-pyridine and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) 2008-06-12 US disclosed
WO-2007103754-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 DYRK1A 4784/4885DYRK1B 4801/4885DYRK2 4751/4885
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R DYRK1A 1140/4885DYRK1B 1457/4885DYRK2 1181/4885
US-20100317871-A1 METHOD FOR THE PREPARATION OF DARIFENACIN HYDROGEN BROMIDE OPRD1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, OPRK1 DYRK1A 2991/4885DYRK1B 2606/4885DYRK2 2682/4885
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B DYRK1A 228/4885DYRK1B 268/4885DYRK2 282/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DYRK1A 258/4885DYRK1B 309/4885DYRK2 355/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 DYRK1A 4471/4885DYRK1B 4558/4885DYRK2 4621/4885
US-20080139619-A1 Novel derivatives of benzimidazale and imidazo-pyridine and their use as medicaments MC4R, MC1R, MC3R DYRK1A 972/4885DYRK1B 1277/4885DYRK2 1011/4885

“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.