SCHEMBL16145984

SCHEMBL16145984

Nc1nc(NCc2ccc(O)c(O)c2)c2[nH]cnc2n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.67
▸ HDAC1 Q13547 3/20 0.56
▸ NUDT1 P36639 1/20 0.55
▸ BRAF P15056 7/20 0.53
▸ HTR2B P41595 2/20 0.50
▸ TMIGD3 P0DMS9 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ PRKACA P17612 3/20 0.48
▸ MAPT P10636 1/20 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
▸ HDAC2 Q92769 2/20 0.47
▸ ADRA2C P18825 1/20 0.47

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
SCHEMBL30523413 1.00 CDK1 (0.67) CDK1HDAC1NUDT1BRAFHTR2B
SCHEMBL30523360 0.88 HTR2B (0.52) CDK1HDAC1HTR2BTMIGD3HTR2C
SCHEMBL16145780 0.88 HTR2B (0.52) CDK1HDAC1HTR2BTMIGD3HTR2C
SCHEMBL16145921 0.86 CDK1 (0.76) CDK1HDAC1NUDT1BRAFHTR2B
SCHEMBL16145860 0.85 MAPT (0.51) CDK1HDAC1HTR2BTMIGD3HTR2C
SCHEMBL30523435 0.85 MAPT (0.51) CDK1HDAC1HTR2BTMIGD3HTR2C
SCHEMBL27587370 0.84 CDK1 (0.73) CDK1HDAC1NUDT1BRAFHTR2B
SCHEMBL16147160 0.81 ALPL (0.50) CDK1HTR2BTMIGD3HTR2CMAPT
SCHEMBL16145983 0.81 ARG1 (0.46) CDK1HDAC1
SCHEMBL16146406 0.81 CDK1 (0.76) CDK1HDAC1NUDT1BRAFHTR2B

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
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
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 CDK1 2235/4885HDAC1 473/4885NUDT1 1147/4885

“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.

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