SCHEMBL3016798

SCHEMBL3016798

NS(=O)(=O)c1cccc(Nn2cnc3cncnc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.43
CA9 Q16790 5/20 0.43
CA4 P22748 1/20 0.43
CDK1 P06493 3/20 0.40
CDK2 P24941 3/20 0.40
CDK5 Q00535 3/20 0.40
ROCK1 Q13464 2/20 0.40
AURKA O14965 2/20 0.40
DCLK1 O15075 2/20 0.40
PDPK1 O15530 2/20 0.40
JAK2 O60674 2/20 0.40
ROCK2 O75116 2/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
EGFR P00533 2/20 0.40
NTRK1 P04629 2/20 0.40
PRKCG P05129 2/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
LYN P07948 2/20 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
SCHEMBL28251675 0.79 CYP1A2 (0.42) CDK1CDK2EGFRLCKSRC
SCHEMBL2429098 0.78 CYP1A2 (0.41) EGFRFGFR1CLK4MAPK1MAPT
Hydrochloric Acid SCHEMBL7659960 0.78 CYP1A2 (0.41) CDK1CDK2EGFRLCKSRC
SCHEMBL3014789 0.74 LMNA (0.40) SYKGSK3BCLK4MEN1KMT2A
SCHEMBL4409381 0.74 NPC1 (0.41) EGFRMAPK9CSNK2A1MAPK1MAPT
Benzenesulfonamide SCHEMBL3122181 0.72 CA1 (0.44) CA2CA9CA4CLK4MAPK1
SCHEMBL3016796 0.70 ROCK1 (0.48) CA9CDK1CDK2CDK5ROCK1
SCHEMBL27491044 0.70 HAVCR2 (0.37) EGFRSRCMAPTMEN1KMT2A
SCHEMBL28197754 0.69 HDAC1 (0.36) MEN1KMT2A
SCHEMBL27397516 0.68 ROCK1 (0.55) CA2CA9CDK1CDK2CDK5

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-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 CA2 4678/4885CA9 4761/4885CA4 4752/4885

“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.