SCHEMBL14418706

SCHEMBL14418706

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(S(=O)(=O)c4cccc(F)c4)C3)nc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.52
▸ CHEK1 O14757 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CDK2 P24941 2/20 0.41
▸ LMNA P02545 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NAMPT P43490 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL14043358 0.93 GSK3B (0.53) GSK3BCHEK1MEN1KMT2AALDH1A1
SCHEMBL12954251 0.91 GSK3B (0.64) GSK3BCDK2
SCHEMBL14581372 0.91 GSK3B (0.52) GSK3BCHEK1MEN1KMT2AALDH1A1
SCHEMBL14301590 0.90 GSK3B (0.55) GSK3BCHEK1MEN1KMT2AALDH1A1
SCHEMBL12954478 0.90 GSK3B (0.50) GSK3BCHEK1KMT2AALDH1A1LMNA
SCHEMBL14307164 0.89 GSK3B (0.51) GSK3BCHEK1KMT2AALDH1A1CDK2
SCHEMBL14607252 0.89 GSK3B (0.48) GSK3BCHEK1MEN1KMT2AALDH1A1
SCHEMBL14301572 0.89 GSK3B (0.52) GSK3BCHEK1MEN1KMT2AALDH1A1
SCHEMBL14418704 0.88 GSK3B (0.53) GSK3BCHEK1MEN1KMT2AALDH1A1
SCHEMBL14043442 0.88 GSK3B (0.57) GSK3BCHEK1MEN1KMT2AALDH1A1

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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 GSK3B 749/4885CHEK1 58/4885MEN1 3036/4885

“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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