SCHEMBL11930887

SCHEMBL11930887

CN(C)CCNc1cc(N[C@H]2CCCC[C@H]2CO)nc2c(Br)cnn12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.38
▸ CDK2 P24941 6/20 0.38
▸ TTK P33981 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CDK7 P50613 2/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CCNH P51946 1/20 0.36
▸ MNAT1 P51948 1/20 0.36
▸ CSNK2B P67870 1/20 0.35
▸ DNM2 P50570 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.34
▸ CCR6 P51684 1/20 0.34

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
SCHEMBL14542867 0.94 KDM4E (0.41) GSK3BCDK2TTKCYP3A4CDK7
SCHEMBL11930881 0.94 KDM4E (0.41) GSK3BCDK2TTKCYP3A4CDK7
SCHEMBL11930886 0.87 GSK3B (0.41) GSK3BCDK2TTKCYP3A4CDK7
SCHEMBL12954276 0.84 TTK (0.46) GSK3BCDK2TTKCYP3A4CDK7
SCHEMBL12954035 0.84 GSK3B (0.41) GSK3BCDK2TTKCYP3A4CDK7
SCHEMBL11930885 0.84 GSK3B (0.39) GSK3BCDK2TTKCYP3A4CDK7
SCHEMBL11930879 0.83 KDM4E (0.38) GSK3BCDK2TTKCYP3A4CDK7
SCHEMBL11930888 0.82 KDM4E (0.45) GSK3BTTKCYP3A4KDM4EMAPT
SCHEMBL14412430 0.81 CDK2 (0.53) GSK3BCDK2CDK7CCNE1CCNH
SCHEMBL12954352 0.81 GSK3B (0.40) GSK3BCDK2TTKCYP3A4CDK7

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 6 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
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 64/4885TTK 31/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 GSK3B 334/4885CDK2 64/4885TTK 31/4885

“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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