SCHEMBL1919861

SCHEMBL1919861

N#Cc1ccc(NC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)ccc3C#N)C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.46
JAK2 O60674 1/20 0.46
CCR6 P51684 7/20 0.46
GSK3B P49841 5/20 0.45
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
DPP4 P27487 3/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38

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
SCHEMBL1918776 0.86 GSK3B (0.49) JAK3JAK2GSK3BKDM4EMAPT
SCHEMBL2934348 0.85 GSK3B (0.49) JAK3JAK2CCR6GSK3BDPP4
Hydrochloric Acid SCHEMBL4281659 0.84 GSK3B (0.48) JAK3JAK2CCR6GSK3BDPP4
SCHEMBL2248844 0.82 JAK3 (0.48) JAK3JAK2CCR6DPP4
SCHEMBL12680860 0.80 CCR6 (0.43) JAK3JAK2CCR6GSK3BDPP4
SCHEMBL1919395 0.80 GSK3B (0.48) GSK3BKDM4EMAPTTDP1CNR1
SCHEMBL10270187 0.80 CCR6 (0.43) JAK3JAK2CCR6GSK3BDPP4
SCHEMBL2935250 0.79 JAK3 (0.42) JAK3JAK2CCR6GSK3BDPP4
SCHEMBL8143524 0.78 GSK3B (0.53) JAK3JAK2CCR6GSK3BCNR2
SCHEMBL4287388 0.76 GSK3B (0.51) JAK3JAK2GSK3BKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326639-B1 SUBSTITUTED PYRIDINES AND ITS USE AS GSK3 INHIBITORS BAYER IP GMBH (DE) 2015-08-19 EP disclosed
EP-2326639-B1 SUBSTITUTED PYRIDINES AND ITS USE AS GSK3 INHIBITORS BAYER IP GMBH (DE) 2015-08-19 EP disclosed
US-8664246-B2 Substituted pyridines, and use thereof as GSK3 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-04 US disclosed
US-8664246-B2 Substituted pyridines, and use thereof as GSK3 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-04 US disclosed
US-20110190316-A1 Substituted pyridines, and use thereof as Gsk3 inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-04 US disclosed
US-20110190316-A1 Substituted pyridines, and use thereof as Gsk3 inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-04 US disclosed
EP-2326639-A1 SUBSTITUTED PYRIDINES, AND USE THEREOF AS GSK3 INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-06-01 EP disclosed
WO-2010012398-A1 SUBSTITUTED PYRIDINES, AND USE THEREOF AS GSK3 INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO disclosed
WO-2010012398-A1 SUBSTITUTED PYRIDINES, AND USE THEREOF AS GSK3 INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 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 (1 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-20110190316-A1 Substituted pyridines, and use thereof as Gsk3 inhibitors GSK3B, GSK3A, GSKIP JAK3 96/4885JAK2 11/4885CCR6 2022/4885

“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.