SCHEMBL417526

SCHEMBL417526

NC(=O)c1nc2cc(F)ccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.54
AHR P35869 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
F2RL3 Q96RI0 2/20 0.42
ILK Q13418 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AXL P30530 1/20 0.41
GFER P55789 1/20 0.41
MAOB P27338 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2656824 0.87 GFER (0.57) DYRK1AAXLGFERMAOBSMYD3
SCHEMBL30770326 0.87 GFER (0.57) DYRK1AAXLGFERMAOBSMYD3
SCHEMBL3642370 0.85 DYRK1A (0.55) DYRK1AAHRF2RL3HDAC3HDAC1
SCHEMBL6982986 0.83 DYRK1A (0.61) DYRK1AAHRF2RL3ILKHDAC3
SCHEMBL4402092 0.81 CA2 (0.59) DYRK1AILKMAOBHSD17B1HSD17B2
SCHEMBL19148622 0.81 CLK1 (0.55) GFERNPC1POLBRAB9ACA2
SCHEMBL3711953 0.80 SMN1; SMN2 (0.53) HDAC6NPC1RAB9A
SCHEMBL3708679 0.79 HSD17B1 (0.43) DYRK1AMAOBSMYD3HSD17B1HSD17B2
SCHEMBL7541643 0.79 NPC1 (0.64) DYRK1AHDAC3HDAC1HDAC2HDAC8
SCHEMBL30815738 0.79 NPC1 (0.64) DYRK1AHDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO claimed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US claimed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US disclosed
US-20070219190-A1 Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2007-09-20 US disclosed
EP-1834954-A1 Thiazoles as NF-kB Inhibitors (proteasome inhibitors) 4SC AG (DE) 2007-09-19 EP disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 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 (8 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB DYRK1A 804/4885AHR 76/4885DYRK1B 568/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 DYRK1A 1964/4885AHR 1090/4885DYRK1B 863/4885
US-20070219190-A1 Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB DYRK1A 1262/4885AHR 107/4885DYRK1B 613/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 DYRK1A 1866/4885AHR 49/4885DYRK1B 964/4885
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 DYRK1A 2191/4885AHR 252/4885DYRK1B 2270/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB DYRK1A 804/4885AHR 76/4885DYRK1B 568/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 DYRK1A 1937/4885AHR 1120/4885DYRK1B 853/4885
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ DYRK1A 2708/4885AHR 1040/4885DYRK1B 2588/4885

“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.