SCHEMBL4944862

SCHEMBL4944862

Cn1c(=O)[nH]c2nc(-c3ccccc3O)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.42
SMARCA4 P51532 2/20 0.42
PBRM1 Q86U86 2/20 0.42
HPGDS O60760 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IKBKB O14920 1/20 0.41
PRMT5 O14744 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
TRPV3 Q8NET8 1/20 0.40
SCN9A Q15858 1/20 0.40
USP30 Q70CQ3 1/20 0.39
CYP2C9 P11712 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
SCHEMBL4946686 0.91 HPGDS (0.42) SMARCA2SMARCA4PBRM1HPGDSKDM4E
SCHEMBL4942340 0.88 SMARCA2 (0.43) SMARCA2SMARCA4PBRM1HPGDSKDM4E
SCHEMBL4946421 0.87 PRMT5 (0.47) HPGDSKDM4EALDH1A1GLAHPGD
SCHEMBL4947306 0.84 SMARCA2 (0.49) SMARCA2SMARCA4PBRM1HPGDSIKBKB
SCHEMBL4946498 0.79 PRMT5 (0.46) HPGDSKDM4EALDH1A1GLAHPGD
SCHEMBL14046508 0.79 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1HPGDSKDM4E
SCHEMBL14028510 0.78 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1HPGDSKDM4E
SCHEMBL14028498 0.78 IKBKB (0.56) IKBKB
SCHEMBL7025589 0.78 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1HPGDSKDM4E
SCHEMBL4944730 0.78 HPGD (0.43) SMARCA2SMARCA4PBRM1HPGDSKDM4E

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 12 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
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

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 SMARCA2 2927/4885SMARCA4 2634/4885PBRM1 2248/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS SMARCA2 2808/4885SMARCA4 2731/4885PBRM1 3326/4885

“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.