SCHEMBL987308

SCHEMBL987308

Nc1ncc(C(=O)O)c2c1ncn2CCCCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.44
CSNK2A1 P68400 3/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A3 Q8NEV1 2/20 0.44
ADCY5 O95622 4/20 0.39
ADORA2A P29274 4/20 0.39
ADORA2B P29275 2/20 0.38
ALDH1A1 P00352 1/20 0.36
GSK3B P49841 1/20 0.35
ADORA1 P30542 1/20 0.35
EGFR P00533 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33

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
SCHEMBL987083 0.93 ADORA2B (0.37) CSNK2A2CSNK2A1CSNK2BCSNK2A3ADCY5
SCHEMBL987310 0.83 NPC1 (0.44) CSNK2A2CSNK2A1CSNK2BCSNK2A3ALDH1A1
SCHEMBL27751665 0.82 ALDH1A1 (0.38) CSNK2A2CSNK2A1ADCY5ADORA2AALDH1A1
SCHEMBL986342 0.80 CSNK2A2 (0.40) CSNK2A2CSNK2A1CSNK2BCSNK2A3ADCY5
SCHEMBL985773 0.79 TBK1 (0.44)
SCHEMBL986392 0.76 NPC1 (0.43) ALDH1A1
SCHEMBL986157 0.73 ADORA2A (0.45) CSNK2A2CSNK2A1CSNK2BCSNK2A3ADORA2A
SCHEMBL12794872 0.69 RAB9A (0.43) ADORA2AALDH1A1ADORA1
SCHEMBL987740 0.69 TBK1 (0.44)
SCHEMBL984956 0.69 RAB9A (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
EP-2049556-B1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISEASES BASILEA PHARMACEUTICA AG (CH) 2013-07-03 EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
EP-2247294-A2 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION Basilea Pharmaceutica AG (CH) 2010-11-10 EP disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 US disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 WO disclosed
EP-2049556-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES Basilea Pharmaceutica AG (CH) 2009-04-22 EP disclosed
WO-2008017696-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES BASILEA PHARMACEUTICA AG (CH) 2008-02-14 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 (2 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-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 CSNK2A2 1247/4885CSNK2A1 1437/4885CSNK2B 1356/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 CSNK2A2 2448/4885CSNK2A1 2701/4885CSNK2B 3539/4885

“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.