SCHEMBL13369028

SCHEMBL13369028

NCC1(C(=O)Nc2cc(C(F)(F)F)ccn2)CCN(c2ncnc3c2CCN3)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1S1 Q96B36 8/20 0.49
LIMK2 P53671 6/20 0.41
LIMK1 P53667 5/20 0.39
AKT2 P31751 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PHGDH O43175 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MAP3K12 Q12852 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL3491790 0.83 AKT2 (0.56) LIMK2LIMK1AKT2PRKACAPRKACG
SCHEMBL3494465 0.77 PHGDH (0.44) PHGDHUSP30MAP3K12
SCHEMBL3493446 0.73 SYK (0.54) PHGDHUSP30
SCHEMBL13369024 0.72 AKT1S1 (0.40) AKT1S1LIMK2LIMK1AKT2ROCK2
SCHEMBL13369025 0.72 LIMK2 (0.40) AKT1S1LIMK2LIMK1AKT2ROCK2
SCHEMBL13369027 0.72 AKT1S1 (0.43) AKT1S1LIMK2LIMK1AKT1
SCHEMBL3491999 0.71 AKT2 (0.60) LIMK2LIMK1AKT2PRKACAPRKACG
SCHEMBL10194432 0.71 AKT1 (0.69) AKT1S1AKT2ROCK2AKT1
SCHEMBL3493470 0.70 AKT2 (0.49) LIMK2LIMK1AKT2PRKACAPRKACG
SCHEMBL13657173 0.67 AKT2 (0.68) AKT1S1AKT2ROCK2AKT1

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 1 patent. 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

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 AKT1S1 63/4885LIMK2 1477/4885LIMK1 2485/4885

“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.