SCHEMBL3492019

SCHEMBL3492019

Cc1ccc(NC(=O)C2(CN=C(c3ccccc3)c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3494018 0.88 KMT2A (0.43) MEN1KMT2AKDM4EHCRTR1HCRTR2
SCHEMBL3494231 0.82 SYK (0.47) KDM4EPKMOPRD1OPRK1
SCHEMBL3494595 0.82 WNT3A (0.45) WNT3AMEN1KMT2ATSHRF13A1
SCHEMBL14155673 0.81 KDM4E (0.47) MEN1KMT2AKDM4EPKMTSHR
SCHEMBL3491514 0.80 KMT2A (0.44) MEN1KMT2AKDM4EPKMHCRTR1
SCHEMBL3494478 0.78 MEN1 (0.45) MEN1KMT2AKDM4EPKMTSHR
SCHEMBL14155616 0.77 F13A1 (0.46) WNT3AMEN1KMT2AKDM4ETSHR
SCHEMBL3493149 0.75 ROCK2 (0.51)
SCHEMBL3494561 0.75 F13A1 (0.46) WNT3AMEN1KMT2AKDM4ETSHR
SCHEMBL13369034 0.74 LIMK2 (0.39) MEN1KMT2ARAB9A

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 WNT3A 1257/4885MEN1 3741/4885KMT2A 1673/4885

“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.