SCHEMBL4944898

SCHEMBL4944898

CCOC(=O)C1Cc2c(C3CCCN(C(=O)OC(C)(C)C)C3)cc(-c3ccccc3O)nc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
PBRM1 Q86U86 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRMT5 O14744 2/20 0.38
HPGDS O60760 1/20 0.38
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL4946653 0.83 IKBKB (0.50) RAB9AIKBKB
Hydrochloric Acid SCHEMBL4946497 0.82 IKBKB (0.49) RAB9AIKBKB
SCHEMBL14028529 0.82 SMARCA2 (0.46) HPGDALDH1A1KDM4EGLARECQL
SCHEMBL4942466 0.82 IKBKB (0.45) HPGDALDH1A1KDM4EGLARECQL
SCHEMBL14028532 0.80 SMARCA2 (0.44) HPGDALDH1A1KDM4EGLARECQL
SCHEMBL4939775 0.79 SMARCA2 (0.44) HPGDALDH1A1KDM4EGLARECQL
SCHEMBL4939767 0.78 SMARCA2 (0.44) HPGDALDH1A1KDM4EGLARECQL
SCHEMBL4944730 0.77 HPGD (0.43) HPGDALDH1A1KDM4EGLARECQL
SCHEMBL14028510 0.76 SMARCA2 (0.53) HPGDALDH1A1KDM4EGLARECQL
SCHEMBL7025589 0.76 SMARCA2 (0.44) HPGDALDH1A1KDM4EGLARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060100246-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-11 US disclosed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
CN-1476442-A Pyridine derivatives with IKB-kinase (IKK-beta) INhibiting activity 2004-02-18 CN disclosed
EP-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed
US-6562811-B1 Inhibit I kappa B kinase beta (IKK- beta or IKK-beta) activity, thus inhibit nuclear factor kappa B (NF- kappa B) and can be used for the prophylaxis and treatment of inflammation BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
WO-2002024679-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO disclosed
WO-2002024693-A1 A PROCESS FOR PRODUCING 3,4-DIHYDRO NAPHTHYRIDINONE ANALOGS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 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-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 HPGD 1115/4885ALDH1A1 2402/4885KDM4E 2649/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS HPGD 224/4885ALDH1A1 793/4885KDM4E 965/4885

“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.