SCHEMBL3493785

SCHEMBL3493785

NCC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.55
AKT2 P31751 7/20 0.53
KIT P10721 5/20 0.52
ROCK2 O75116 3/20 0.51
PRKACA P17612 2/20 0.51
PRKACG P22612 2/20 0.51
PRKACB P22694 2/20 0.51
LIMK1 P53667 2/20 0.51
LIMK2 P53671 2/20 0.51
GSK3B P49841 1/20 0.47
CSF1R P07333 1/20 0.47
KCNH2 Q12809 1/20 0.47
AKT3 Q9Y243 1/20 0.47

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
SCHEMBL3493479 0.87 AKT2 (0.63) AKT1AKT2KITROCK2GSK3B
SCHEMBL13510877 0.83 AKT1 (0.73) AKT1AKT2KITROCK2GSK3B
SCHEMBL3491999 0.83 AKT2 (0.60) AKT1AKT2KITROCK2PRKACA
SCHEMBL3492324 0.82 AKT2 (0.58) AKT1AKT2ROCK2PRKACAPRKACG
SCHEMBL3491790 0.80 AKT2 (0.56) AKT1AKT2KITROCK2PRKACA
SCHEMBL13343923 0.79 AKT1 (0.68) AKT1AKT2ROCK2GSK3BKCNH2
SCHEMBL3491738 0.78 AKT1 (0.68) AKT1AKT2ROCK2GSK3BKCNH2
SCHEMBL3494310 0.78 AKT1 (0.60) AKT1AKT2KITROCK2PRKACA
SCHEMBL3490712 0.78 TRPV1 (0.44) CSF1R
SCHEMBL13343977 0.78 AKT2 (0.79) AKT1AKT2ROCK2CSF1RKCNH2

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 5 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 claimed
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
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 AKT1 40/4885AKT2 27/4885KIT 1421/4885

“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.