SCHEMBL9119

SCHEMBL9119

CNc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.59
GDA Q9Y2T3 1/20 0.59
POLA1 P09884 2/20 0.54
CDK2 P24941 6/20 0.48
CDK1 P06493 5/20 0.48
CCNB1 P14635 5/20 0.48
CCNA2 P20248 5/20 0.48
CCNA1 P78396 5/20 0.48
CCNB2 O95067 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
XDH P47989 2/20 0.47
PI4KA P42356 2/20 0.47
PI4K2B Q8TCG2 2/20 0.47
PI4K2A Q9BTU6 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
LMNA P02545 1/20 0.47
DRD3 P35462 1/20 0.47
LRRK2 Q5S007 1/20 0.47
MAP3K5 Q99683 1/20 0.44
DPP4 P27487 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
SCHEMBL29385342 1.00 PDPK1 (0.59) PDPK1GDAPOLA1CDK2CDK1
SCHEMBL14977062 0.84 PDPK1 (0.61) PDPK1GDAPOLA1CDK2CDK1
SCHEMBL28274636 0.83 PDPK1 (0.56) PDPK1GDAPOLA1CDK2CDK1
SCHEMBL16145922 0.81 POLA1 (0.55) PDPK1GDAPOLA1CDK2CDK1
SCHEMBL11876697 0.80 XDH (0.67) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL14938904 0.79 GDA (0.54) PDPK1GDAPOLA1XDHPI4KA
SCHEMBL16146953 0.79 POLA1 (0.56) PDPK1GDAPOLA1CDK2CDK1
SCHEMBL2730455 0.79 PDPK1 (0.56) PDPK1GDAPOLA1CDK2CDK1
SCHEMBL377763 0.79 CDK2 (0.48) PDPK1GDACDK2CDK1CCNB1
SCHEMBL28387743 0.78 PDPK1 (0.54) PDPK1GDAPOLA1CDK2CDK1

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 1947 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419665-B1 TREATMENT METHODS FOR FIBROSIS TARGETING SMOC2 BRIGHAM & WOMENS HOSPITAL INC (US) 2024-10-30 EP claimed
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
US-8288354-B2 Natural antisense and non-coding RNA transcripts as drug targets THE SCRIPPS RESEARCH INSTITUTE (US) 2012-10-16 US claimed
EP-1381694-A4 METHODS FOR IDENTIFYING LIGAND BINDING SITES IN A BIOMOLECULE ISIS PHARMACEUTICALS INC (US) 2006-08-16 EP claimed
US-6730485-B2 DETECTION OF BINDING DOMAIN IN POLYPEPTIDE; OBTAIN POLYPEPTIDE, INCUBATE WITH LIGAND, EXPOSE SPECTRUM ANALYSIS, DETECT BINDING DOMAIN IN PROTEIN ISIS PHARMACEUTICALS, INC. 2004-05-04 US claimed
US-6730484-B2 POLYNUCLEOTIDE OR POLYPEPTIDE, AS WELL AS METHODS FOR DETERMINING WHETHER A PARTICULAR SITE IN A TARGET MOLECULE IS AT OR NEAR THE LIGAND BINDING SITE, ARE PROVIDED. LIGAND BINDING AFFINITIES CORRESPONDING TO BOTH THE TARGET MOLECULE ISIS PHARMACEUTICALS, INC. 2004-05-04 US claimed
EP-1381694-A1 METHODS FOR IDENTIFYING LIGAND BINDING SITES IN A BIOMOLECULE ISIS Pharmaceuticals, Inc. (US) 2004-01-21 EP claimed
US-6653067-B1 Contacting with modified/unmodified test molecule and dissociating; comparing the unseparated complexes; mass spectrometry; use in drug discovery ISIS PHARMACEUTICALS, INC. 2003-11-25 US claimed
US-20030165915-A1 Methods for identifying ligand binding sites in a biomolecule ISIS PHARMACEUTICALS, INC. 2003-09-04 US claimed
US-20030077630-A1 Methods for identifying ligand binding sites in a biomolecule ISIS PHARMACEUTICALS, INC. 2003-04-24 US claimed
US-20030013113-A1 Methods for identifying ligand binding sites in a biomolecule ISIS PHARMACEUTICALS, INC. 2003-01-16 US claimed
WO-2002068691-A1 METHODS FOR IDENTIFYING LIGAND BINDING SITES IN A BIOMOLECULE ISIS PHARMACEUTICALS, INC. (US) 2002-09-06 WO claimed
EP-4746853-A1 A LIPID DRUG DELIVERY SYSTEM FOR INCREASED ENDOSOMAL ESCAPE MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2026-05-27 EP disclosed
US-12637674-B2 Inhibition of lncExACT1 to treat heart disease THE GENERAL HOSPITAL CORPORATION (US) 2026-05-26 US disclosed
US-12637682-B2 Protein translational control THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2026-05-26 US disclosed
EP-0590082-A4 ANTISENSE OLIGONUCLEOTIDE INHIBITION OF THE RAS GENE. ISIS PHARMACEUTICALS INC (US) 1995-04-12 EP disclosed
WO-1994008003-A1 ANTISENSE OLIGONUCLEOTIDE INHIBITION OF THE ras GENE ISIS PHARMACEUTICALS, INC. (US) 1994-04-14 WO disclosed
EP-0590082-A1 ANTISENSE OLIGONUCLEOTIDE INHIBITION OF THE RAS GENE ISIS PHARMACEUTICALS, INC. (US) 1994-04-06 EP disclosed
WO-1992022651-A1 ANTISENSE OLIGONUCLEOTIDE INHIBITION OF THE RAS GENE ISIS PHARMACEUTICALS, INC. (US) 1992-12-23 WO 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 (3 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 PDPK1 281/4885GDA 1170/4885POLA1 2876/4885
US-12637682-B2 Protein translational control RNGTT, RNMT, METTL16 PDPK1 3626/4885GDA 3651/4885POLA1 2390/4885
US-12637674-B2 Inhibition of lncExACT1 to treat heart disease DACH1, TNNT2, CDH1 PDPK1 2204/4885GDA 3902/4885POLA1 3789/4885

“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.