SCHEMBL4592344

SCHEMBL4592344

CCc1ccc(N(Cc2cnc(N(C)C)nc2)C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
CHRNA7 P36544 1/20 0.34
PDK1 Q15118 1/20 0.33
EPHX2 P34913 1/20 0.31
ITK Q08881 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
CYP3A4 P08684 2/20 0.31
GRM4 Q14833 2/20 0.31
CYP1A2 P05177 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSP90AA1 P07900 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
TLR9 Q9NR96 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
NPC1 O15118 2/20 0.31

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
SCHEMBL4593113 0.88 MAPT (0.37) MAPTTHRBCHRNA7PDK1EPHX2
SCHEMBL4592578 0.85 MAPT (0.38) MAPTTHRBCHRNA7PDK1SMN1; SMN2
SCHEMBL4591651 0.85 CNR2 (0.41) MAPTTHRBSMN1; SMN2CYP3A4MEN1
SCHEMBL4592454 0.84 CNR2 (0.40) MAPTTHRBPDK1
SCHEMBL4592198 0.84 MAPT (0.37) MAPTTHRBSMN1; SMN2TP53MEN1
SCHEMBL4592221 0.84 BCL2A1 (0.40) MAPTTHRBPDK1CYP3A4MEN1
SCHEMBL4592465 0.84 PDK2 (0.41) MAPTTHRBPDK1CYP3A4PDK2
SCHEMBL4592219 0.83 MAPT (0.37) MAPTTHRBSMN1; SMN2CYP3A4CYP1A2
SCHEMBL4591425 0.83 MAPT (0.37) MAPTTHRBPDK1SMN1; SMN2CYP3A4
SCHEMBL4593125 0.82 BCL2A1 (0.43) MAPTPDK1SMN1; SMN2TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US claimed
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN claimed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN disclosed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP disclosed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 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 (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-20080220003-A1 C5a Receptor Antagonists C3AR1, C5AR2, C5AR1 MAPT 4871/4885THRB 234/4885CHRNA7 280/4885

“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.