SCHEMBL16145920

SCHEMBL16145920

CCNc1nc(S)nc2nc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ SYK P43405 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.45
▸ XDH P47989 2/20 0.44
▸ CDK1 P06493 2/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 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
SCHEMBL16146386 0.85 ADORA3 (0.50) ADORA3DRD1SYKCYP1A2CYP3A4
SCHEMBL10408919 0.82 ADORA3 (0.50) ADORA3DRD1SYKCYP1A2CYP3A4
SCHEMBL16146881 0.82 ADORA3 (0.50) ADORA3DRD1SYKCYP1A2CYP3A4
SCHEMBL16145960 0.81 XDH (0.65) ADORA3CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7735734 0.81 ADORA3 (0.49) ADORA3DRD1SYKCYP1A2CYP3A4
SCHEMBL28004413 0.81 HTR2B (0.50) ADORA3DRD1SYKCYP1A2CYP3A4
SCHEMBL16147088 0.81 CYP1A2 (0.51) ADORA3DRD1SYKCYP1A2CYP3A4
SCHEMBL16147021 0.81 CDK1 (0.63) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7110910 0.81 XDH (0.69) ADORA3DRD1SYKCYP1A2CYP3A4
SCHEMBL28004981 0.81 ADORA3 (0.49) ADORA3DRD1SYKCYP1A2CYP3A4

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 ADORA3 1280/4885DRD1 4859/4885SYK 3334/4885

“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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