SCHEMBL3489870

SCHEMBL3489870

CNC1(c2nc3ccccc3[nH]2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 10/20 0.50
JAK3 P52333 4/20 0.50
LCK P06239 1/20 0.48
HTR2C P28335 1/20 0.48
ENPP1 P22413 1/20 0.48
GSK3B P49841 4/20 0.47
ROCK2 O75116 2/20 0.47
AKT1 P31749 2/20 0.47
AKT3 Q9Y243 1/20 0.47
BTK Q06187 1/20 0.47
KIT P10721 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.45
RPS6KB1 P23443 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45

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
SCHEMBL3488997 0.86 AKT2 (0.58) AKT2JAK3LCKHTR2CGSK3B
SCHEMBL3489867 0.84 AKT2 (0.60) AKT2JAK3HTR2CENPP1GSK3B
SCHEMBL3488868 0.83 AKT2 (0.49) AKT2JAK3LCKHTR2CENPP1
SCHEMBL3492023 0.83 AKT2 (0.52) AKT2JAK3HTR2CENPP1GSK3B
SCHEMBL3491270 0.83 AKT2 (0.49) AKT2JAK3LCKHTR2CENPP1
SCHEMBL3489653 0.75 AKT2 (0.54) AKT2JAK3LCKHTR2CENPP1
SCHEMBL3491478 0.75 AKT2 (0.52) AKT2JAK3HTR2CGSK3BROCK2
SCHEMBL27771071 0.74 JAK3 (0.51) AKT2JAK3LCKHTR2CENPP1
SCHEMBL14162138 0.73 AKT2 (0.67) AKT2JAK3GSK3BROCK2AKT1
SCHEMBL3491324 0.73 AKT2 (0.55) AKT2JAK3LCKHTR2CENPP1

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 3 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
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 35/4885JAK3 225/4885LCK 1305/4885

“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.