SCHEMBL16147019

SCHEMBL16147019

Nc1nc(Nc2ccccc2)nc2nc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.65
CDK2 P24941 6/20 0.64
CDK1 P06493 3/20 0.64
NEK2 P51955 2/20 0.64
CHEK1 O14757 2/20 0.64
CDK7 P50613 2/20 0.64
AURKA O14965 1/20 0.64
CHEK2 O96017 1/20 0.64
ABL1 P00519 1/20 0.64
LCK P06239 1/20 0.64
FYN P06241 1/20 0.64
LYN P07948 1/20 0.64
MET P08581 1/20 0.64
SRC P12931 1/20 0.64
RPS6KB1 P23443 1/20 0.64
MAPK3 P27361 1/20 0.64
MAPK1 P28482 1/20 0.64
AKT2 P31751 1/20 0.64
CSNK1D P48730 1/20 0.64
GSK3B P49841 1/20 0.64

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
SCHEMBL16146412 0.85 POLA1 (0.74) POLA1CDK2CDK1NEK2CHEK1
SCHEMBL16146840 0.85 POLA1 (0.66) POLA1CDK2CDK1NEK2CHEK1
SCHEMBL16146749 0.85 POLA1 (0.66) POLA1CDK2CDK1NEK2CHEK1
SCHEMBL16146409 0.84 BRAF (0.66) POLA1CDK2CDK1NEK2CHEK1
SCHEMBL16146610 0.84 POLA1 (0.71) POLA1CDK2CDK1NEK2CHEK1
SCHEMBL16146374 0.84 BRAF (0.66) POLA1CDK2CDK1NEK2CHEK1
SCHEMBL459414 0.83 ADORA3 (0.68) CDK2CDK1NEK2CHEK1CDK7
SCHEMBL16147002 0.82 CDK2 (0.64) CDK2CDK1NEK2CHEK1CDK7
SCHEMBL8539783 0.82 CDK2 (0.64) POLA1CDK2CDK1NEK2CHEK1
SCHEMBL16146628 0.80 POLA1 (0.63) POLA1CDK2CDK1NEK2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108703970-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2018-10-26 CN claimed
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
CN-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 CN disclosed
CN-108703970-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2018-10-26 CN disclosed
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
EP-3277843-A2 METHODS AND COMPOSITIONS FOR COMBINATORIAL BARCODING Cellular Research, Inc. (US) 2018-02-07 EP 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
US-7662798-B2 2′ and 3′-nucleoside prodrugs for treating Flaviviridae infections IDENIX PHARMACEUTICALS, INC. (US) 2010-02-16 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 POLA1 2876/4885CDK2 1757/4885CDK1 2235/4885

“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.