SCHEMBL16146868

SCHEMBL16146868

CCc1nc(S)c2[nH]cnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 9/20 0.40
▸ CCNB1 P14635 9/20 0.40
▸ CDK2 P24941 9/20 0.40
▸ CCNA2 P20248 8/20 0.40
▸ CCNA1 P78396 8/20 0.40
▸ PIN1 Q13526 1/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ GDA Q9Y2T3 1/20 0.38
▸ XDH P47989 3/20 0.37
▸ MAP3K5 Q99683 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL16146779 0.86 CDK1 (0.41) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL22693061 0.80 CDK1 (0.41) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL14461781 0.80 CDK2 (0.46) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL1924592 0.79 PDPK1 (0.59) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL7293081 0.79 DPP4 (0.56) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL29592683 0.79 PDPK1 (0.59) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL11133893 0.79 CDK1 (0.40) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL5576430 0.78 CDK2 (0.42) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL16146652 0.77 XDH (0.63) CDK1CCNB1CDK2CCNA2CCNA1
Water SCHEMBL28083708 0.77 PDPK1 (0.58) CDK1CCNB1CDK2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 — — 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
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
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 — — CN 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 2235/4885CCNB1 3655/4885CDK2 1757/4885

“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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