SCHEMBL3490901

SCHEMBL3490901

O=C(O)C1(CN=C(c2ccccc2)c2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.59
ROCK2 O75116 5/20 0.53
PRKACA P17612 2/20 0.53
PRKACG P22612 2/20 0.53
PRKACB P22694 2/20 0.53
LIMK1 P53667 2/20 0.53
LIMK2 P53671 2/20 0.53
AKT2 P31751 11/20 0.52
AKT1 P31749 7/20 0.52
AKT3 Q9Y243 3/20 0.52
KCNH2 Q12809 2/20 0.49
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3491258 0.88 KIT (0.52) KITROCK2PRKACAPRKACGPRKACB
SCHEMBL3493149 0.85 ROCK2 (0.51) KITROCK2PRKACAPRKACGPRKACB
SCHEMBL3492127 0.83 AKT2 (0.53) KITROCK2AKT2AKT1AKT3
SCHEMBL3492620 0.83 AKT2 (0.49) KITROCK2PRKACAPRKACGPRKACB
SCHEMBL3492843 0.83 AKT2 (0.49) KITROCK2PRKACAPRKACGPRKACB
SCHEMBL2778598 0.82 AKT1 (0.63) KITROCK2AKT2AKT1AKT3
SCHEMBL3494126 0.81 AKT2 (0.55) KITROCK2AKT2AKT1AKT3
SCHEMBL3493470 0.81 AKT2 (0.49) KITROCK2PRKACAPRKACGPRKACB
SCHEMBL2780797 0.76 AKT2 (0.67) ROCK2AKT2AKT1AKT3KCNH2
SCHEMBL10156821 0.74 JAK3 (0.59) KITROCK2AKT2AKT1AKT3

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-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY 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-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 KIT 1421/4885ROCK2 83/4885PRKACA 595/4885

“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.