SCHEMBL3490179

SCHEMBL3490179

NC1(c2nc3cc(OC(F)(F)F)ccc3[nH]2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 15/20 0.61
KIT P10721 2/20 0.51
GSK3B P49841 3/20 0.49
JAK3 P52333 2/20 0.44
CYP2C9 P11712 2/20 0.43
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
ROCK2 O75116 1/20 0.43
AKT1 P31749 2/20 0.43
CYP2D6 P10635 1/20 0.43
RPS6KB1 P23443 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL3492559 0.88 AKT2 (0.58) AKT2KITGSK3BJAK3CYP2C9
SCHEMBL3488934 0.85 AKT2 (0.52) AKT2KITGSK3BJAK3CYP2C9
SCHEMBL14162138 0.84 AKT2 (0.67) AKT2GSK3BJAK3CYP2C9ROCK2
SCHEMBL3489004 0.84 AKT2 (0.49) AKT2KITGSK3BJAK3CYP2C9
SCHEMBL3488944 0.83 AKT2 (0.52) AKT2KITGSK3BJAK3CYP2C9
SCHEMBL3490604 0.83 AKT2 (0.54) AKT2KITGSK3BJAK3CYP2C9
SCHEMBL3490533 0.82 AKT2 (0.55) AKT2KITGSK3BJAK3CYP2C9
SCHEMBL3488997 0.81 AKT2 (0.58) AKT2KITGSK3BJAK3CYP2C9
SCHEMBL3491969 0.81 AKT2 (0.54) AKT2KITGSK3BJAK3CYP2C9
SCHEMBL3491478 0.81 AKT2 (0.52) AKT2KITGSK3BJAK3CYP2C9

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 6 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
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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 35/4885KIT 2170/4885GSK3B 300/4885

“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.