SCHEMBL11930880

SCHEMBL11930880

Nc1cc(N[C@H]2CCCC[C@H]2CO)nc2c(Br)cnn12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.47
▸ CCNA2 P20248 6/20 0.47
▸ CCNA1 P78396 6/20 0.47
▸ CHEK1 O14757 5/20 0.47
▸ MAPKAPK2 P49137 1/20 0.35
▸ GSK3B P49841 3/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ TYK2 P29597 4/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL14013901 0.84 OPRK1 (0.36) CDK2CCNA2CCNA1CHEK1MAPKAPK2
SCHEMBL14276368 0.84 OPRK1 (0.36) CDK2CCNA2CCNA1CHEK1MAPKAPK2
SCHEMBL11930886 0.83 GSK3B (0.41) CDK2CHEK1MAPKAPK2GSK3B
SCHEMBL12953860 0.82 CDK2 (0.33) CDK2CCNA2CCNA1CHEK1MAPKAPK2
SCHEMBL12954270 0.82 CDK2 (0.33) CDK2CCNA2CCNA1CHEK1MAPKAPK2
SCHEMBL12954276 0.82 TTK (0.46) CDK2MAPKAPK2GSK3B
SCHEMBL12953695 0.81 GSK3B (0.44) CDK2MAPKAPK2GSK3B
SCHEMBL11930868 0.81 GSK3B (0.44) CDK2MAPKAPK2GSK3B
SCHEMBL11930887 0.79 GSK3B (0.38) CDK2MAPKAPK2GSK3B
SCHEMBL14412430 0.79 CDK2 (0.53) CDK2GSK3B

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 CDK2 64/4885CCNA2 1270/4885CCNA1 1142/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CDK2 64/4885CCNA2 1270/4885CCNA1 1142/4885

“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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