SCHEMBL2398708

SCHEMBL2398708

Cc1ccnc2c1CC(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CCNB2 O95067 6/20 0.39
CDK1 P06493 6/20 0.39
CCNB1 P14635 6/20 0.39
CCNB3 Q8WWL7 6/20 0.39
CDK5 Q00535 8/20 0.38
GSK3B P49841 8/20 0.38
CDK5R1 Q15078 7/20 0.38
GSK3A P49840 4/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL10267990 0.83 PDE3B (0.40) PDE3BPDE3APARP1PARP10PARP11
SCHEMBL10298655 0.78 LMNA (0.38) SRCPDE3BPDE3ACCNB2CDK1
SCHEMBL15074613 0.78 MB (0.45) PDE3BPDE3AMST1RCCR1CCR5
SCHEMBL2782735 0.77 GSK3B (0.40) SRCPDE3BPDE3ACCNB2CDK1
SCHEMBL21620528 0.77 CDK5 (0.38) SRCPDE3BPDE3ACCNB2CDK1
SCHEMBL580431 0.77 CDK5 (0.47) SRCCCNB2CDK1CCNB1CCNB3
SCHEMBL5893879 0.77 CDK5 (0.44) SRCPDE3BPDE3ACCNB2CDK1
SCHEMBL21104269 0.77 CCNB2 (0.36) SRCPDE3BPDE3ACCNB2CDK1
SCHEMBL14424566 0.77 GSK3B (0.36) SRCPDE3BPDE3ACCNB2CDK1
SCHEMBL29955850 0.77 SRC (0.39) SRCPDE3BPDE3ACCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
US-20200385382-A1 6-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-12-10 US disclosed
US-20200339581-A1 AMINO INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
WO-2020012357-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-01-16 WO disclosed
EP-3356330-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-11-20 EP disclosed
US-10246469-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-02 US disclosed
US-20180051024-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 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 (8 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-10246469-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 SRC 148/4885PDE3B 3358/4885PDE3A 3247/4885
US-20180051024-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK SRC 14/4885PDE3B 970/4885PDE3A 1038/4885
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC SRC 4279/4885PDE3B 541/4885PDE3A 910/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS SRC 988/4885PDE3B 189/4885PDE3A 288/4885
US-20200339581-A1 AMINO INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS TLR7, TLR1, TLR9 SRC 1095/4885PDE3B 907/4885PDE3A 1050/4885
US-20200385382-A1 6-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 SRC 1735/4885PDE3B 322/4885PDE3A 341/4885
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK SRC 880/4885PDE3B 137/4885PDE3A 202/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 SRC 531/4885PDE3B 1410/4885PDE3A 1928/4885

“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.