SCHEMBL1106478

SCHEMBL1106478

CC(C)n1cnc2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CDK2 P24941 4/20 0.40
CCNA2 P20248 2/20 0.40
CCNA1 P78396 2/20 0.40
CDK5 Q00535 2/20 0.40
DYRK1A Q13627 2/20 0.40

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
SCHEMBL24999134 0.82 ADORA2A (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6177913 0.81 MEN1 (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL18237702 0.77 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4894592 0.76 MEN1 (0.36) KDM4ENPC1ALDH1A1GAARAB9A
SCHEMBL4903657 0.76 SLC29A1 (0.38) PDE4APDE4DKDM4ENPC1ALDH1A1
SCHEMBL19131838 0.76 ADORA2A (0.39) KDM4ENPC1ALDH1A1GAARAB9A
SCHEMBL14867106 0.75 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4865265 0.74 MEN1 (0.37) KDM4ENPC1ALDH1A1GAARAB9A
SCHEMBL84705 0.74 GRM5 (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12413754 0.73 TP53 (0.48) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-20230321109-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES REGENERON PHARMA (US) 2023-10-12 US disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 US disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 US disclosed
US-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE GENENTECH INC (US) 2023-09-21 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-7399764-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-07-15 US disclosed
US-7399764-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-07-15 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 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 (11 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS PDE4A 184/4885PDE4B 321/4885PDE4C 223/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PDE4A 1639/4885PDE4B 1477/4885PDE4C 1466/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 PDE4A 3026/4885PDE4B 3276/4885PDE4C 3537/4885
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 PDE4A 4114/4885PDE4B 3501/4885PDE4C 4298/4885
US-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE DPYD, TP53, GLS PDE4A 776/4885PDE4B 658/4885PDE4C 607/4885
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 PDE4A 1341/4885PDE4B 1606/4885PDE4C 1625/4885
US-20230321109-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES CD22, HDAC6, NR1H4 PDE4A 607/4885PDE4B 710/4885PDE4C 261/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS PDE4A 30/4885PDE4B 72/4885PDE4C 49/4885
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 PDE4A 924/4885PDE4B 1255/4885PDE4C 1110/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 PDE4A 252/4885PDE4B 231/4885PDE4C 332/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 PDE4A 2220/4885PDE4B 2205/4885PDE4C 2638/4885

“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.