SCHEMBL11930868

SCHEMBL11930868

Nc1ncc(CNc2cc(N[C@@H]3CCCC[C@@H]3CO)nc3c(Br)cnn23)cn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.44
▸ CDK2 P24941 7/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CCNH P51946 1/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ MAPKAPK2 P49137 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
SCHEMBL12953695 1.00 GSK3B (0.44) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL12954261 0.88 CDK2 (0.46) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL14412430 0.87 CDK2 (0.53) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL11930871 0.84 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL12952925 0.84 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL11930863 0.84 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL11930886 0.84 GSK3B (0.41) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL12954276 0.83 TTK (0.46) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL11930864 0.82 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL12953868 0.82 KDM4E (0.46) GSK3BCDK2CCNE1CDK7CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — 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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 GSK3B 334/4885CDK2 64/4885CCNE1 895/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 GSK3B 334/4885CDK2 64/4885CCNE1 895/4885

“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.

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