SCHEMBL984958

SCHEMBL984958

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 9/20 0.45
CSNK1D P48730 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
STAT1 P42224 1/20 0.42
MAPT P10636 3/20 0.42
HSP90AA1 P07900 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL12794872 0.90 RAB9A (0.43) KDM4ERAB9ANPC1ALDH1A1CSNK1D
SCHEMBL986392 0.89 NPC1 (0.43) KDM4ERAB9ANPC1ALDH1A1CSNK1D
SCHEMBL984956 0.89 RAB9A (0.43) KDM4ERAB9ANPC1ALDH1A1CSNK1D
SCHEMBL986157 0.88 ADORA2A (0.45) KDM4ERAB9ANPC1ALDH1A1CSNK1D
SCHEMBL987310 0.88 NPC1 (0.44) KDM4ERAB9ANPC1ALDH1A1CSNK1D
SCHEMBL27772450 0.86 RAB9A (0.44) KDM4ERAB9ANPC1ALDH1A1CSNK1D
SCHEMBL12794868 0.82 RAB9A (0.38) KDM4ERAB9ANPC1ALDH1A1CSNK1D
SCHEMBL986279 0.81 RAB9A (0.39) KDM4ERAB9ANPC1ALDH1A1CSNK1D
SCHEMBL987308 0.69 CSNK2A2 (0.44) ALDH1A1
SCHEMBL4791366 0.69 BAZ2B (0.44) KDM4ERAB9ANPC1ALDH1A1CSNK1D

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 KDM4E 3427/4885RAB9A 2536/4885NPC1 1155/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 KDM4E 4433/4885RAB9A 1999/4885NPC1 869/4885

“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.