SCHEMBL7075366

SCHEMBL7075366

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cccc(C#N)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM4 Q14833 1/20 0.40
CCR5 P51681 2/20 0.40
CCR2 P41597 1/20 0.40
NR3C1 P04150 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
POLB P06746 1/20 0.39
SPR P35270 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7078063 0.87 SPR (0.40) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL7079006 0.87 MEN1 (0.45) TP53NPC1RAB9ASMN1; SMN2CCR5
SCHEMBL7078734 0.86 POLB (0.41) PDE4APDE4BPDE4CPDE4DCCR5
SCHEMBL5961440 0.84 TP53 (0.47) TP53RAB9ACCR5CCR2NR3C1
SCHEMBL7081133 0.84 NR3C1 (0.44) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL5961572 0.83 CCR2 (0.49) PDE4APDE4BPDE4CPDE4DCCR5
SCHEMBL7079264 0.82 NR3C1 (0.40) CCR5CCR2NR3C1POLBSPR
SCHEMBL7074009 0.82 NR3C1 (0.48) NPC1RAB9ACCR5CCR2NR3C1
SCHEMBL7077952 0.82 SPR (0.48) RAB9ACCR5CCR2NR3C1POLB
SCHEMBL7137484 0.81 SPR (0.43) NPC1RAB9ASMN1; SMN2CCR5CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 PDE4A 1423/4885PDE4B 1277/4885PDE4C 1301/4885

“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.