SCHEMBL987310

SCHEMBL987310

CCOC(=O)c1cnc(N)c2ncn(CCCCl)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
CSNK1D P48730 1/20 0.40
HSP90AA1 P07900 1/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39

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
SCHEMBL986392 0.94 NPC1 (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL986157 0.91 ADORA2A (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12794872 0.88 RAB9A (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL984958 0.88 KDM4E (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL984956 0.87 RAB9A (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL27772450 0.84 RAB9A (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL986279 0.83 RAB9A (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL987308 0.83 CSNK2A2 (0.44) ALDH1A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL12794868 0.81 RAB9A (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL986342 0.79 CSNK2A2 (0.40) KDM4ECSNK2A2CSNK2BCSNK2A1CSNK2A3

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 NPC1 1155/4885RAB9A 2536/4885SMN1; SMN2 2728/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 NPC1 869/4885RAB9A 1999/4885SMN1; SMN2 2417/4885

“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.