SCHEMBL5097207

SCHEMBL5097207

CSc1nccc(-c2c[nH]nc2-c2ccc(NC(=O)c3ccccc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
JAK2 O60674 1/20 0.44
PTPN1 P18031 4/20 0.44
PTPN2 P17706 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDR P35968 1/20 0.42
BCAT2 O15382 1/20 0.42
PRMT5 O14744 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MAP4K1 Q92918 1/20 0.41

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
SCHEMBL5094782 0.90 CCNT1 (0.42) ROCK2JAK2TP53
SCHEMBL4722437 0.83 ROCK2 (0.44) ROCK2ROCK1JAK2PTPN1PTPN2
SCHEMBL4629197 0.79 JAK2 (0.59) JAK2
SCHEMBL1554639 0.77 MAPK14 (0.54)
SCHEMBL4628220 0.74 JAK2 (0.60) JAK2
SCHEMBL13359305 0.74 CCNA2 (0.42) IDO1
SCHEMBL4629101 0.73 FLT3 (0.55) JAK2KDR
SCHEMBL13199646 0.73 CCNT1 (0.46) IDO1TDO2
SCHEMBL5090972 0.72 JAK3 (0.37) ROCK2JAK2KDR
SCHEMBL4658932 0.70 KMT2A (0.48)

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-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 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-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases AURKA, AURKC, PLK1 ROCK2 620/4885ROCK1 406/4885JAK2 205/4885

“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.