SCHEMBL8009110

SCHEMBL8009110

Cc1nc(NCc2ccccc2)c2nc[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PIM1 P11309 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK2 Q92630 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
NPY5R Q15761 1/20 0.48
CDK1 P06493 3/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
TSHR P16473 5/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CDK2 P24941 1/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46

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
SCHEMBL16147023 0.89 PRMT1 (0.52) CYP3A4MAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16145955 0.87 CYP1A2 (0.47) CYP3A4PIM1DYRK1ADYRK2DYRK1B
SCHEMBL16146205 0.86 PRMT1 (0.41) LMNAKDM4EHSD17B10MEN1KMT2A
SCHEMBL16145902 0.86 LRRK2 (0.48) CDK2HSD17B10KMT2A
SCHEMBL16147165 0.86 CDK1 (0.48) MAPK1CDK1PDE4APDE4BPDE4C
SCHEMBL13601281 0.85 ALDH1A1 (0.47) CYP3A4MAPK1SMN1; SMN2PDE4APDE4B
SCHEMBL16146133 0.84 TMIGD3 (0.56) MAPK1LMNACDK2KMT2A
SCHEMBL16146671 0.84 AURKA (0.54) CYP3A4DYRK1ADYRK1BLMNACYP1A2
SCHEMBL16146792 0.84 PPARG (0.40) PIM1DYRK1ADYRK2DYRK1B
SCHEMBL16146709 0.84 CDK1 (0.54) MAPK1CDK1PDE4APDE4BPDE4C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 US claimed
US-9938279-B2 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2018-04-10 US disclosed
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 US disclosed
WO-2000033657-A1 METHOD TO IDENTIFY REGULATORS OF CDK ACTIVITY CROPDESIGN N.V. (BE) 2000-06-15 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-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) PRKAG2, PRKAB2, PRKAG1 CYP3A4 4016/4885MAPK1 559/4885SMN1; SMN2 2822/4885

“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.