SCHEMBL3489823

SCHEMBL3489823

NCC1(c2nc3ccccc3[nH]2)CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 7/20 0.43
GSK3B P49841 4/20 0.43
KIT P10721 3/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HIF1A Q16665 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HTR3A P46098 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
NPY5R Q15761 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL3488970 0.86 AKT2 (0.50) AKT2GSK3BLMNASMN1; SMN2HTT
SCHEMBL14162313 0.86 KIT (0.41) AKT2GSK3BKITLMNASMN1; SMN2
SCHEMBL3489867 0.84 AKT2 (0.60) AKT2GSK3BKIT
SCHEMBL3490589 0.82 KIT (0.38) AKT2KITLMNASMN1; SMN2HTT
SCHEMBL3489804 0.82 AKT1 (0.49)
SCHEMBL3489449 0.82 AKT1 (0.46) AKT2GSK3BKITMAPK1
SCHEMBL3492018 0.82 AKT1 (0.50) AKT2GSK3B
SCHEMBL3489391 0.80 LMNA (0.37) AKT2GSK3BKITLMNASMN1; SMN2
SCHEMBL3492023 0.76 AKT2 (0.52) AKT2GSK3BKIT
SCHEMBL13540010 0.75 AKT2 (0.57) AKT2GSK3BKIT

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-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
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 AKT2 35/4885GSK3B 300/4885KIT 2170/4885

“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.