SCHEMBL3493149

SCHEMBL3493149

Cc1ccc(NC(=O)C2(CN=C(c3ccccc3)c3ccccc3)CCN(c3ncnc4[nH]ccc34)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 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
KIT P10721 1/20 0.49
AKT1 P31749 10/20 0.48
AKT2 P31751 10/20 0.48
AKT3 Q9Y243 6/20 0.48
KCNH2 Q12809 3/20 0.45
ENPP1 P22413 1/20 0.45
CYP2C9 P11712 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
SCHEMBL3494310 0.85 AKT1 (0.60) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL3490901 0.85 KIT (0.59) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL13369034 0.83 LIMK2 (0.39) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL3491258 0.83 KIT (0.52) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL3493470 0.82 AKT2 (0.49) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL3492843 0.81 AKT2 (0.49) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL3494018 0.80 KMT2A (0.43)
SCHEMBL3491514 0.78 KMT2A (0.44)
SCHEMBL3492620 0.78 AKT2 (0.49) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL3492127 0.78 AKT2 (0.53) ROCK2KITAKT1AKT2AKT3

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-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 ROCK2 83/4885PRKACA 595/4885PRKACG 598/4885

“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.