SCHEMBL5090972

SCHEMBL5090972

CS(=O)(=O)c1nccc(-c2c[nH]nc2-c2ccc(NC(=O)O)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.37
JAK2 O60674 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PRNP P04156 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
KIT P10721 10/20 0.36
PDGFRA P16234 8/20 0.36
KDR P35968 7/20 0.35
ROCK2 O75116 2/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
EGFR P00533 1/20 0.34
CYP3A4 P08684 1/20 0.34
BRAF P15056 1/20 0.34
MAPK10 P53779 1/20 0.34
KCNH2 Q12809 1/20 0.34
ERBB4 Q15303 1/20 0.34

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
SCHEMBL4722437 0.90 ROCK2 (0.44) JAK2MEN1KMT2AROCK2
SCHEMBL5094782 0.82 CCNT1 (0.42) JAK3JAK2KDM4EMEN1PRNP
SCHEMBL14947685 0.75 DYRK1B (0.41) JAK3KDM4EKMT2AKDRDYRK1B
SCHEMBL5256181 0.73 MAPK14 (0.41) MEN1KMT2A
SCHEMBL3258565 0.73 IKBKB (0.52) KDRDYRK1BMAPK10KCNH2
SCHEMBL5097207 0.72 ROCK2 (0.45) JAK2KDRROCK2
SCHEMBL5090990 0.72 CSNK1D (0.50) JAK2BRAF
SCHEMBL3917534 0.72 CYP3A4 (0.39) JAK3KDM4EKMT2AEGFRCYP3A4
SCHEMBL3909205 0.72 CYP3A4 (0.39) JAK3KDM4EMEN1KMT2ADYRK1B
SCHEMBL3253221 0.71 CAMK2D (0.58) JAK3JAK2MAPK10

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 JAK3 90/4885JAK2 205/4885KDM4E 1462/4885

“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.