SCHEMBL14516133

SCHEMBL14516133

O=S(O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.56
▸ CDK2 P24941 9/20 0.53
▸ CHEK1 O14757 1/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ CCNE1 P24864 6/20 0.48
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14528908 0.84 GSK3B (0.59) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL16784405 0.83 GSK3B (0.61) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13893796 0.83 GSK3B (0.61) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13998466 0.83 CDK2 (0.69) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL11931057 0.83 GSK3B (0.61) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL11931061 0.82 GSK3B (0.62) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13885049 0.81 GSK3B (0.75) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13885070 0.80 GSK3B (0.60) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL11931062 0.79 GSK3B (0.61) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13885078 0.79 GSK3B (0.59) GSK3BCDK2CHEK1CCNA2CCNA1

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-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 (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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 GSK3B 334/4885CDK2 64/4885CHEK1 8/4885

“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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