SCHEMBL4942272

SCHEMBL4942272

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccccc3OCc3ccccc3)nc3[nH]ncc23)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.49
HPGDS O60760 1/20 0.43
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
HTR6 P50406 4/20 0.41
SMYD2 Q9NRG4 2/20 0.41
BCHE P06276 2/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
USP30 Q70CQ3 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
TYK2 P29597 1/20 0.39
JAK3 P52333 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
SCHEMBL4940878 0.90 SMYD2 (0.43) PRMT5CDK2SMYD2JAK2JAK1
SCHEMBL4946562 0.85 PRMT5 (0.48) PRMT5HPGDSCCNT1CDK9CCNA2
SCHEMBL14028460 0.84 PRMT5 (0.47) PRMT5HPGDSCCNT1CDK9CCNA2
SCHEMBL4946550 0.84 PRMT5 (0.48) PRMT5HPGDSCCNT1CDK9CCNA2
SCHEMBL14046479 0.84 PRMT5 (0.48) PRMT5HPGDSCCNT1CDK9CCNA2
SCHEMBL4946421 0.83 PRMT5 (0.47) PRMT5HPGDSCCNT1CDK9CCNA2
SCHEMBL4944836 0.82 PRMT5 (0.47) PRMT5HPGDSCCNT1CDK9CCNA2
SCHEMBL4940870 0.82 PRMT5 (0.47) PRMT5HPGDSCCNT1CDK9CCNA2
SCHEMBL4946466 0.82 PRMT5 (0.47) PRMT5HPGDSCCNT1CDK9CCNA2
SCHEMBL4943046 0.82 PRMT5 (0.47) PRMT5HPGDSCCNT1CDK9CCNA2

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 13 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
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

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 PRMT5 181/4885HPGDS 421/4885CCNT1 242/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS PRMT5 1544/4885HPGDS 1923/4885CCNT1 2407/4885

“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.