SCHEMBL1104596

SCHEMBL1104596

CC(C)n1cc2ccc(=O)[nH]c2nc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HCAR1 Q9BXC0 2/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
F11 P03951 1/20 0.32
CASP3 P42574 1/20 0.32
CDK9 P50750 1/20 0.32
CASP7 P55210 1/20 0.32
XDH P47989 1/20 0.32
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL18080437 0.84 PDE3B (0.35) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL13057731 0.78 ADORA2A (0.39) PIK3CA
SCHEMBL10104853 0.77 PDE3B (0.40) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL18080605 0.77 ALDH1A1 (0.36) MAPTCASP3CDK9CASP7SRC
SCHEMBL18080430 0.75 BRD4 (0.38) MAPT
SCHEMBL18080525 0.75 CASP3 (0.31) CASP3CDK9CASP7
SCHEMBL18080606 0.75 CASP3 (0.32) CASP3CDK9CASP7
SCHEMBL18080432 0.74 JAK1 (0.38) MAPT
SCHEMBL18080524 0.74 KDM4E (0.34) CASP3CDK9CASP7
SCHEMBL18080429 0.73 SMN1; SMN2 (0.33) CASP3CDK9CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319540-B2 HIF 1-alpha antisense oligonucleotides OLIPASS CORPORATION (KR) 2022-05-03 US disclosed
US-20210292767-A1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2021-09-23 US disclosed
US-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9675632-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-9675632-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
US-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-06-09 US disclosed
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-03-03 US disclosed
US-9085599-B2 2′allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-7427675-B2 Compounds and methods for the characterization of oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2008-09-23 US disclosed
US-20080119645-A1 Immobilization; solid phase synthesis ISIS PHARMACEUTICALS, INC. (US) 2008-05-22 US disclosed
US-20080097028-A1 POLYMERIC BEADS FOR OLIGOMER SYNTHESIS LSIS PHARMACEUTICALS, INC. (US) 2008-04-24 US disclosed
US-20080021224-A1 SUPPORTS FOR OLIGOMER SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 2008-01-24 US disclosed
US-7276599-B2 Oligonucleotide synthesis with alternative solvents ISIS PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-20070123703-A1 CHLORAL-FREE DCA IN OLIGONUCLEOTIDE SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 2007-05-31 US disclosed
US-7202264-B2 Supports such as glass and styrene polymers functionalized with tricyclic hetercyclic anhydrides and imides, used in the preparation of oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 US disclosed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 US disclosed
US-7169916-B2 Chloral-free DCA in oligonucleotide synthesis ISIS PHARMACEUTICALS, INC. (US) 2007-01-30 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 (10 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 PDE3B 1568/4885PDE3A 1692/4885MAPK8 2288/4885
US-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 PDE3B 556/4885PDE3A 1042/4885MAPK8 959/4885
US-11319540-B2 HIF 1-alpha antisense oligonucleotides HIF1A, HIF1AN, UPF1 PDE3B 3673/4885PDE3A 3332/4885MAPK8 2917/4885
US-20080097028-A1 POLYMERIC BEADS FOR OLIGOMER SYNTHESIS NEFM, NOD2, MACF1 PDE3B 4768/4885PDE3A 4770/4885MAPK8 2050/4885
US-20080021224-A1 SUPPORTS FOR OLIGOMER SYNTHESIS ILK, NOP2, PFAS PDE3B 4814/4885PDE3A 4744/4885MAPK8 3248/4885
US-20080119645-A1 Immobilization; solid phase synthesis RNGTT, NOP2, NSUN2 PDE3B 3378/4885PDE3A 3145/4885MAPK8 3766/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT PDE3B 4694/4885PDE3A 4456/4885MAPK8 821/4885
US-20210292767-A1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES HIF1A, HIF1AN, UPF1 PDE3B 3673/4885PDE3A 3332/4885MAPK8 2917/4885
US-20070123703-A1 CHLORAL-FREE DCA IN OLIGONUCLEOTIDE SYNTHESIS DCLRE1B, DCTD, DDT PDE3B 3484/4885PDE3A 3732/4885MAPK8 2795/4885
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 PDE3B 556/4885PDE3A 1042/4885MAPK8 959/4885

“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.