SCHEMBL14613311

SCHEMBL14613311

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.53
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CDK2 P24941 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ LMNA P02545 1/20 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
SCHEMBL13289015 0.94 GSK3B (0.54) GSK3BCHEK1L3MBTL1NAMPTTSHR
SCHEMBL14607249 0.93 GSK3B (0.55) GSK3BCYP2C19CHEK1NAMPTCDK2
SCHEMBL13120545 0.91 GSK3B (0.66) GSK3BCDK2
SCHEMBL13289097 0.89 GSK3B (0.59) GSK3BCHEK1NAMPTTSHRCDK2
SCHEMBL14307160 0.89 GSK3B (0.51) GSK3BHTTKMT2ACHEK1NAMPT
SCHEMBL13289096 0.89 GSK3B (0.55) GSK3BCYP2C19KMT2ACHEK1NAMPT
SCHEMBL13289366 0.89 GSK3B (0.55) GSK3BCHEK1NAMPTTSHRCDK2
SCHEMBL12953928 0.89 GSK3B (0.55) GSK3BHTTMEN1POLBKMT2A
SCHEMBL12953927 0.89 GSK3B (0.51) GSK3BCHEK1NAMPTCDK2
SCHEMBL14418840 0.88 GSK3B (0.53) GSK3BCYP2C19CHEK1NAMPTCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 — — 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 (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-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A GSK3B 937/4885KDM4E 462/4885CYP1A2 1076/4885

“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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