SCHEMBL5961573

SCHEMBL5961573

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cccc(Cl)c3)c(N3CCN(C)CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
NR3C1 P04150 10/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
USP2 O75604 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
SCHEMBL5961465 0.90 NR3C1 (0.39) GAANR3C1MAPTPDE4APDE4B
SCHEMBL5961550 0.90 NR3C1 (0.48) RAB9ANR3C1LMNA
SCHEMBL5961569 0.89 KDM4E (0.43) RAB9ANPC1NR3C1POLBPDE4A
SCHEMBL5961439 0.89 NR3C1 (0.38) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961497 0.88 NR3C1 (0.44) RAB9ANPC1NR3C1MAPTKMT2A
SCHEMBL5961567 0.88 NR3C1 (0.42) NPC1NR3C1LMNATP53ALDH1A1
SCHEMBL5961493 0.88 NR3C1 (0.44) GAANR3C1LMNAKMT2APDE4A
Hydrochloric Acid SCHEMBL7174469 0.87 NR3C1 (0.43) GAANR3C1LMNAKMT2APDE4A
SCHEMBL5961563 0.87 NR3C1 (0.46) NR3C1MAPTALDH1A1PDE4APDE4B
SCHEMBL5961574 0.86 NR3C1 (0.52) RAB9ANPC1GAANR3C1KMT2A

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 6 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
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP 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
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 WO claimed
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 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

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 RAB9A 3364/4885NPC1 568/4885GAA 3271/4885

“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.