SCHEMBL5031903

SCHEMBL5031903

CC(C)(C)NC1CCC(NC(=O)CNc2ncnc3ccc(-c4cccc(C#N)c4)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.55
CYP1A2 P05177 11/20 0.54
HSD17B10 Q99714 8/20 0.54
CLK4 Q9HAZ1 8/20 0.54
CYP2C19 P33261 5/20 0.54
CYP3A4 P08684 9/20 0.53
ALDH1A1 P00352 7/20 0.53
CYP2C9 P11712 6/20 0.53
LMNA P02545 5/20 0.53
TSHR P16473 5/20 0.53
USP2 O75604 5/20 0.53
CYP2D6 P10635 5/20 0.53
HIF1A Q16665 4/20 0.53
TP53 P04637 3/20 0.53
MAPK1 P28482 3/20 0.53
RECQL P46063 2/20 0.53
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL5027110 0.92 CCRL2 (0.51) IRAK4CCRL2CCR2KCNH2
SCHEMBL5027107 0.89 CCRL2 (0.51) IRAK4CYP1A2HSD17B10CLK4CYP2C19
SCHEMBL5029067 0.87 CCRL2 (0.51) CLK4CCRL2
SCHEMBL5029495 0.86 CYP1A2 (0.60) IRAK4CYP1A2HSD17B10CLK4CYP2C19
SCHEMBL5029267 0.86 CCRL2 (0.59) CCRL2CCR2KCNH2
SCHEMBL5029577 0.86 CLK4 (0.60) CYP1A2HSD17B10CLK4CYP2C19CYP3A4
SCHEMBL5033701 0.86 CCRL2 (0.48) CCRL2
SCHEMBL5033636 0.84 CCRL2 (0.55) CCRL2
SCHEMBL5027259 0.84 CCRL2 (0.53) CCRL2
SCHEMBL5033574 0.83 CCRL2 (0.62) CCRL2

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-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 IRAK4 1077/4885CYP1A2 2798/4885HSD17B10 1706/4885

“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.