SCHEMBL5961432

SCHEMBL5961432

Cn1nc(-c2ccccc2)c2cc(C(N)=O)cnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
POLB P06746 2/20 0.48
SPR P35270 3/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 2/20 0.44
PDE10A Q9Y233 1/20 0.43
AKT1 P31749 1/20 0.42
JAK2 O60674 1/20 0.42
DPP4 P27487 1/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
GSK3A P49840 1/20 0.41
CDK5 Q00535 1/20 0.41
PRKCQ Q04759 1/20 0.41
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL7173405 0.89 HPGD (0.52) GSK3BPOLBSPRALDH1A1KDM4E
SCHEMBL5961524 0.83 SPR (0.49) SPRALDH1A1HPGDAKT1KDR
SCHEMBL5961520 0.77 SPR (0.60) POLBSPRKDM4EHPGDPDE4A
SCHEMBL30627366 0.76 NAMPT (0.43) JAK2CDK8
SCHEMBL38652244 0.73 AKT1 (0.51) POLBALDH1A1KDM4EHPGDAKT1
SCHEMBL28623432 0.71 AKT1 (0.52) POLBALDH1A1KDM4EHPGDAKT1
SCHEMBL4674159 0.71 AKT1 (0.70) GSK3BPOLBALDH1A1KDM4EHPGD
SCHEMBL20556148 0.71 LMNA (0.47) POLBALDH1A1KDM4EHPGDAKT1
SCHEMBL21500663 0.71 SPR (0.69) POLBSPRALDH1A1KDM4EHPGD
SCHEMBL13217293 0.71 FYN (0.45) GSK3BPOLBKDM4EGSK3A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US disclosed
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed
US-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-04-22 US disclosed
US-6670364-B2 For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases TELIK, INC. 2003-12-30 US disclosed
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP disclosed
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 US disclosed
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 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-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 GSK3B 3071/4885POLB 3248/4885SPR 430/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 GSK3B 3071/4885POLB 3248/4885SPR 430/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 GSK3B 527/4885POLB 1931/4885SPR 49/4885

“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.