SCHEMBL3490779

SCHEMBL3490779

CS(=O)(=O)c1ccc(-c2cccc3[nH]c(C4(N)CCN(c5ncnc6[nH]ccc56)CC4)nc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 12/20 0.52
ROCK2 O75116 4/20 0.52
AKT1 P31749 3/20 0.52
AKT3 Q9Y243 2/20 0.52
ENPP1 P22413 1/20 0.46
GSK3B P49841 1/20 0.46
JAK2 O60674 3/20 0.46
JAK3 P52333 3/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
RPS6KB1 P23443 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATR Q13535 1/20 0.40
ATRIP Q8WXE1 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
SCHEMBL3491631 0.92 AKT2 (0.47) AKT2ROCK2AKT1AKT3ENPP1
SCHEMBL3490827 0.88 ROCK2 (0.39) AKT2ROCK2AKT1AKT3GSK3B
SCHEMBL3490873 0.88 AKT2 (0.52) AKT2ROCK2AKT1AKT3GSK3B
SCHEMBL3489798 0.88 RPS6KB1 (0.41) AKT2ROCK2AKT1AKT3PRKACA
SCHEMBL13403206 0.87 AKT2 (0.53) AKT2ROCK2AKT1GSK3BJAK2
SCHEMBL3489674 0.86 AKT2 (0.50) AKT2ROCK2AKT1AKT3GSK3B
SCHEMBL3490271 0.86 IKBKB (0.47) AKT2ROCK2AKT1AKT3ENPP1
SCHEMBL3489479 0.85 AKT2 (0.46) AKT2ROCK2AKT1AKT3ENPP1
SCHEMBL3489645 0.85 AKT2 (0.50) AKT2ROCK2AKT1AKT3ENPP1
SCHEMBL3489443 0.84 AKT2 (0.51) AKT2ROCK2AKT1AKT3ENPP1

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A AKT2 35/4885ROCK2 259/4885AKT1 18/4885

“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.