SCHEMBL2684071

SCHEMBL2684071

O=C(CBr)Nc1nc2cc(F)ccc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.68
PDPK1 O15530 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
WNT3A P56704 1/20 0.50
CSNK1D P48730 1/20 0.49
PAX8 Q06710 1/20 0.49
LRRK2 Q5S007 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL8348837 0.89 PDPK1 (0.68) DYRK1APDPK1NPC1RAB9APOLB
SCHEMBL30522062 0.89 PDPK1 (0.68) DYRK1APDPK1NPC1RAB9APOLB
SCHEMBL6359608 0.86 DYRK1A (0.72) DYRK1APDPK1NPC1RAB9APOLB
SCHEMBL8354539 0.85 PDPK1 (0.64) DYRK1APDPK1NPC1RAB9APOLB
SCHEMBL31717641 0.84 DYRK1A (0.69) DYRK1APDPK1NPC1RAB9APOLB
SCHEMBL27815164 0.81 DYRK1A (0.74) DYRK1APDPK1NPC1RAB9APOLB
SCHEMBL5313704 0.80 CSNK1D (0.69) DYRK1ANPC1RAB9APOLBSMN1; SMN2
SCHEMBL30369583 0.77 LRRK2 (0.81) DYRK1ANPC1RAB9APOLBSMN1; SMN2
SCHEMBL8356267 0.76 NPC1 (0.65) DYRK1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24804544 0.76 RAB9A (0.62) DYRK1ANPC1RAB9APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
EP-1631569-B1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2009-08-26 EP disclosed
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
CN-100445281-C Quinuclidine derivatives binding to muscarinic M3 receptor NOVARTIS AG (CH) 2008-12-24 CN disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
CN-1784400-A Quinuclidine derivatives binding to muscarinic M3 receptor NOVARTIS AG (CH) 2006-06-07 CN disclosed
EP-1631569-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS Novartis AG (CH) 2006-03-08 EP disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
WO-2004096800-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2004-11-11 WO disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 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 (5 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DYRK1A 4649/4885PDPK1 3343/4885NPC1 3076/4885
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 DYRK1A 1789/4885PDPK1 3348/4885NPC1 2654/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DYRK1A 4649/4885PDPK1 3343/4885NPC1 3076/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DYRK1A 4628/4885PDPK1 3776/4885NPC1 3813/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 DYRK1A 1789/4885PDPK1 3348/4885NPC1 2654/4885

“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.