SCHEMBL3489447

SCHEMBL3489447

N#CC1(c2nc3cc(Cl)ccc3[nH]2)CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKT2 P31751 13/20 0.38
AKT1 P31749 4/20 0.38
GSK3B P49841 6/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
RPS6KB1 P23443 1/20 0.37
KIT P10721 2/20 0.36
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35

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
SCHEMBL3491535 0.87 AKT2 (0.54) AKT2AKT1GSK3BCYP2D6CYP2C9
SCHEMBL3490589 0.86 KIT (0.38) HRH4KDM4EALDH1A1LMNAMAPT
SCHEMBL14162395 0.86 AKT2 (0.47) HRH4KDM4EALDH1A1LMNAMAPT
SCHEMBL3488970 0.84 AKT2 (0.50) HRH4KDM4EALDH1A1LMNAMAPT
SCHEMBL2777809 0.79 STK4 (0.44) MAPTAKT2GSK3BRPS6KB1STK4
SCHEMBL3491773 0.79 AKT2 (0.47) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL3490754 0.77 JAK3 (0.46) AKT2AKT1GSK3BCYP2D6CYP2C9
SCHEMBL3491270 0.74 AKT2 (0.49) AKT2AKT1GSK3BCYP2D6CYP2C9
SCHEMBL3491429 0.73 HRH4 (0.38) HRH4ALDH1A1AKT1
SCHEMBL14162138 0.73 AKT2 (0.67) AKT2AKT1GSK3BCYP2D6CYP2C9

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A HRH4 683/4885KDM4E 1870/4885ALDH1A1 4612/4885

“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.