SCHEMBL9118

SCHEMBL9118

CNc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38
PDPK1 O15530 3/20 0.33
BTK Q06187 1/20 0.32
GAA P10253 2/20 0.32
GDA Q9Y2T3 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
XDH P47989 1/20 0.31
AURKA O14965 1/20 0.31
TTK P33981 1/20 0.31

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
SCHEMBL14977060 0.85 GDA (0.33) PDPK1BTKGAAGDAKDM4E
SCHEMBL10047091 0.82 CDK1 (0.33) PDPK1GDACDK1CDK2
SCHEMBL13477906 0.81 GDA (0.32) PDPK1GDAPOLA1
SCHEMBL10047120 0.81 L3MBTL1 (0.38) PDPK1GAACCNB2CDK1CCNB1
SCHEMBL11876693 0.79 XDH (0.39) PDPK1CCNB2CDK1CCNB1CCNA2
SCHEMBL2730453 0.78 ALOX15 (0.33) PDPK1GDACDK1CDK2AURKB
SCHEMBL16146951 0.78 ADORA2A (0.41) CDK1CDK2ALDH1A1MAPTPOLA1
SCHEMBL14938903 0.78 CYP1A2 (0.39) GDAALDH1A1AURKB
SCHEMBL14110227 0.78 XDH (0.38) PDPK1CCNB2CDK1CCNB1CCNA2
SCHEMBL377762 0.78 PDPK1 (0.33) PDPK1CCNB2CDK1CCNB1CCNA2

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 1936 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
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-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
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
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
WO-2026107101-A2 COMPOUNDS FOR TARGETING FERREDOXIN 2 (FDX2) IN FRIEDREICH ATAXIA (FRDA) THE GENERAL HOSPITAL CORPORATION (US) 2026-05-21 WO 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 NOS1 532/4885PDPK1 281/4885BTK 3989/4885
US-12637682-B2 Protein translational control RNGTT, RNMT, METTL16 NOS1 3436/4885PDPK1 3626/4885BTK 1560/4885
US-12637674-B2 Inhibition of lncExACT1 to treat heart disease DACH1, TNNT2, CDH1 NOS1 1174/4885PDPK1 2204/4885BTK 4471/4885

“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.