SCHEMBL986150

SCHEMBL986150

CCOC(=O)c1cnc(Cl)c2ncn(CCCO[Si](C)(C)C(C)(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.38
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPK10 P53779 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL12794869 0.94 KMT2A (0.35) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL986279 0.88 RAB9A (0.39) DUTALDH1A1LMNAKDM4EMAPK1
SCHEMBL12794868 0.82 RAB9A (0.38) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL4791366 0.76 BAZ2B (0.44) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL987310 0.73 NPC1 (0.44) ALDH1A1LMNAKDM4EMAPK1SMN1; SMN2
SCHEMBL986685 0.71 PDE5A (0.42) KMT2AMEN1KDM4EMAPK1ATM
SCHEMBL17574590 0.71 POLB (0.39) DUTKMT2AALDH1A1LMNAMEN1
SCHEMBL986157 0.70 ADORA2A (0.45) ALDH1A1LMNAKDM4EMAPK1SMN1; SMN2
SCHEMBL986392 0.69 NPC1 (0.43) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL12794865 0.69 KDM4E (0.44) KMT2AALDH1A1MEN1KDM4EMAPK1

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 DUT 4023/4885KMT2A 4378/4885ALDH1A1 4616/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 DUT 4491/4885KMT2A 3272/4885ALDH1A1 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.