SCHEMBL14307160

SCHEMBL14307160

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4cccc(OC(F)(F)F)c4)CC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.51
▸ NAMPT P43490 4/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ KCNN3 Q9UGI6 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL12953926 0.93 GSK3B (0.52) GSK3BNAMPTCHEK1LMNAHTT
SCHEMBL14607252 0.92 GSK3B (0.48) GSK3BNAMPTCHEK1KCNN3LMNA
SCHEMBL13120521 0.92 GSK3B (0.63) GSK3BCDK2
SCHEMBL14613311 0.89 GSK3B (0.53) GSK3BNAMPTCHEK1TSHRCDK2
SCHEMBL13289097 0.88 GSK3B (0.59) GSK3BNAMPTCHEK1TSHRCDK2
SCHEMBL14607249 0.87 GSK3B (0.55) GSK3BNAMPTCHEK1CDK2LMNA
SCHEMBL13289366 0.87 GSK3B (0.55) GSK3BNAMPTCHEK1TSHRCDK2
SCHEMBL13289096 0.87 GSK3B (0.55) GSK3BNAMPTCHEK1TSHRCDK2
SCHEMBL12953928 0.87 GSK3B (0.55) GSK3BNAMPTCHEK1TSHRCDK2
SCHEMBL13289015 0.86 GSK3B (0.54) GSK3BNAMPTCHEK1TSHRCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — US disclosed
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — 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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885NAMPT 579/4885CHEK1 60/4885

“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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