SCHEMBL11930884

SCHEMBL11930884

Nc1cc(N[C@H]2CCNC2)nc2c(Br)cnn12

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.61
▸ CHEK1 O14757 14/20 0.61
▸ CCNA2 P20248 13/20 0.61
▸ CCNA1 P78396 13/20 0.61
▸ MAPKAPK2 P49137 1/20 0.40
▸ GSK3B P49841 3/20 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
SCHEMBL11930829 0.81 CDK2 (0.57) CDK2CHEK1CCNA2CCNA1MAPKAPK2
SCHEMBL11930830 0.81 CDK2 (0.57) CDK2CHEK1CCNA2CCNA1MAPKAPK2
SCHEMBL14543068 0.81 CDK2 (0.57) CDK2CHEK1CCNA2CCNA1MAPKAPK2
SCHEMBL11930803 0.81 CHEK1 (0.41) CDK2CHEK1CCNA2CCNA1
SCHEMBL11930815 0.79 CDK2 (0.47) CDK2CHEK1CCNA2CCNA1MAPKAPK2
SCHEMBL11930806 0.77 TYK2 (0.44) CDK2CHEK1CCNA2CCNA1
SCHEMBL11930867 0.76 CHEK1 (1.00) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL11930870 0.74 CHEK1 (0.73) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL12952900 0.74 GSK3B (0.71) CDK2GSK3B
SCHEMBL12952850 0.74 GSK3B (0.71) 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 64/4885CHEK1 8/4885CCNA2 1270/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CDK2 64/4885CHEK1 8/4885CCNA2 1270/4885

“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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