SCHEMBL16146403

SCHEMBL16146403

Cc1cccc(CNc2nc(N)c3[nH]cnc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.58
PIN1 Q13526 1/20 0.55
POLA1 P09884 2/20 0.48
CDK1 P06493 2/20 0.48
TMIGD3 P0DMS9 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
APP P05067 1/20 0.44
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
MGMT P16455 1/20 0.43

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
SCHEMBL16146883 0.85 TMIGD3 (0.65) PIN1POLA1CDK1TMIGD3HTR2C
SCHEMBL16146393 0.85 STAT3 (0.60) STAT3PIN1CDK1TMIGD3HTR2C
SCHEMBL16146547 0.85 PAK4 (0.60) STAT3POLA1CDK1TMIGD3HTR2C
SCHEMBL16146202 0.85 CDK1 (0.48) STAT3POLA1CDK1TMIGD3HTR2C
SCHEMBL16146760 0.85 PRMT1 (0.56) STAT3PIN1POLA1CDK1MAPT
SCHEMBL14939010 0.84 CDK1 (0.65) PIN1POLA1CDK1LMNACYP1A2
SCHEMBL16146972 0.82 CDK1 (0.73) STAT3PIN1CDK1TMIGD3HTR2C
SCHEMBL16146402 0.81 CYP1A2 (0.46) STAT3PIN1TMIGD3CYP1A2MAPT
SCHEMBL16145956 0.79 STAT3 (0.64) STAT3PIN1CDK1TMIGD3HTR2C
SCHEMBL16147160 0.79 ALPL (0.50) STAT3POLA1CDK1TMIGD3HTR2C

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 3 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

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 STAT3 990/4885PIN1 4585/4885POLA1 2876/4885

“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.