SCHEMBL16147074

SCHEMBL16147074

Sc1nc(I)nc2nc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.47
ADORA1 P30542 3/20 0.43
HTR2B P41595 1/20 0.43
PDPK1 O15530 1/20 0.41
GDA Q9Y2T3 1/20 0.41
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PNP P00491 1/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
XDH P47989 2/20 0.36
MAP3K5 Q99683 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
PI4KA P42356 2/20 0.34
PI4K2B Q8TCG2 2/20 0.34
PI4K2A Q9BTU6 2/20 0.34
PI4KB Q9UBF8 2/20 0.34
LMNA P02545 1/20 0.34
DRD3 P35462 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
SCHEMBL532461 0.79 CDK2 (0.66) CDK2ADORA1HTR2BPDPK1GDA
SCHEMBL1275417 0.79 PDPK1 (0.44) CDK2ADORA1PDPK1GDADPP4
SCHEMBL31350217 0.76 PDPK1 (0.66) CDK2ADORA1HTR2BPDPK1GDA
Thioguanine SCHEMBL183648 0.76 PDPK1 (0.66) CDK2ADORA1PDPK1GDADPP4
SCHEMBL16146853 0.76 PDPK1 (0.41) CDK2ADORA1PDPK1GDADPP4
SCHEMBL2352414 0.76 DPP4 (0.61) CDK2ADORA1HTR2BPDPK1GDA
SCHEMBL833645 0.76 GDA (0.41) CDK2ADORA1PDPK1GDADPP4
SCHEMBL842438 0.76 PDPK1 (0.66) CDK2ADORA1HTR2BPDPK1GDA
SCHEMBL16146695 0.76 PDPK1 (0.41) CDK2ADORA1PDPK1GDADPP4
SCHEMBL9733146 0.76 XDH (0.56) CDK2HTR2BPDPK1GDADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112289937-B Quantum dot light-emitting diode and preparation method thereof TCL科技集团股份有限公司 2022-08-23 CN claimed
CN-112289937-A Quantum dot light-emitting diode and preparation method thereof TCL集团股份有限公司 2021-01-29 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-112289937-B Quantum dot light-emitting diode and preparation method thereof TCL科技集团股份有限公司 2022-08-23 CN disclosed
CN-112289937-A Quantum dot light-emitting diode and preparation method thereof TCL集团股份有限公司 2021-01-29 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
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 CDK2 1757/4885ADORA1 1262/4885HTR2B 4766/4885

“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.