SCHEMBL987083

SCHEMBL987083

Nc1ncc(C(=O)O)c2c1ncn2CCCl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CSNK2A2 P19784 4/20 0.36
CSNK2A1 P68400 4/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
GSK3B P49841 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA1 P30542 2/20 0.35
EGFR P00533 1/20 0.35
ADCY5 O95622 3/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL987308 0.93 CSNK2A2 (0.44) ADORA2BALDH1A1CSNK2A2CSNK2A1CSNK2B
SCHEMBL27751665 0.83 ALDH1A1 (0.38) ALDH1A1CSNK2A2CSNK2A1ADORA2AADORA1
SCHEMBL986392 0.82 NPC1 (0.43) MAPTALDH1A1
SCHEMBL987310 0.76 NPC1 (0.44) MAPTALDH1A1CSNK2A2CSNK2A1CSNK2B
SCHEMBL986342 0.74 CSNK2A2 (0.40) ADORA2BCSNK2A2CSNK2A1CSNK2BCSNK2A3
SCHEMBL985773 0.73 TBK1 (0.44)
SCHEMBL12794872 0.70 RAB9A (0.43) MAPTALDH1A1ADORA2AADORA1
SCHEMBL986157 0.69 ADORA2A (0.45) MAPTALDH1A1CSNK2A2CSNK2A1CSNK2B
SCHEMBL985401 0.68 PDE4B (0.46)
SCHEMBL4404460 0.66 PDE4B (0.46)

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 ADORA2B 490/4885MAPT 4860/4885ALDH1A1 4616/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 ADORA2B 2624/4885MAPT 4802/4885ALDH1A1 3239/4885

“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.