SCHEMBL3738600

SCHEMBL3738600

COc1ccccc1-c1ccc2ncnc(Cl)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.71
CYP1A2 P05177 18/20 0.68
CYP3A4 P08684 17/20 0.68
CYP2C19 P33261 16/20 0.68
CYP2D6 P10635 15/20 0.68
TSHR P16473 13/20 0.68
LMNA P02545 12/20 0.68
ALDH1A1 P00352 12/20 0.68
HSD17B10 Q99714 10/20 0.68
MAPK1 P28482 5/20 0.68
HPGD P15428 4/20 0.68
KDM4E B2RXH2 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
CLK4 Q9HAZ1 13/20 0.64
USP2 O75604 10/20 0.64
CYP2C9 P11712 4/20 0.64
HIF1A Q16665 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60

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
SCHEMBL13043863 0.84 MAP4K4 (0.73) MAP4K4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL15587269 0.83 MAP4K4 (1.00) MAP4K4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL31060425 0.83 MAP4K4 (1.00) MAP4K4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL3733304 0.83 MAP4K4 (0.71) MAP4K4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL180943 0.81 ENPP1 (0.55) MAP4K4TSHRHSD17B10MAPK1CLK4
SCHEMBL18970603 0.81 MAP4K4 (0.60) MAP4K4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL27748892 0.78 PDE4A (0.50) MAP4K4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6997835 0.78 PLAU (0.68) MAP4K4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL27527937 0.76 PLG (0.53) MAP4K4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL18712270 0.74 PDE4A (0.45) MAP4K4CYP1A2CYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
CN-1871215-B Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO 2011-06-08 CN disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
CN-1871215-A Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2006-11-29 CN disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20050054627-A1 Cyclic 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 (4 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 MAP4K4 1458/4885CYP1A2 3692/4885CYP3A4 4063/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 MAP4K4 2871/4885CYP1A2 2798/4885CYP3A4 3690/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 MAP4K4 1458/4885CYP1A2 3692/4885CYP3A4 4063/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 MAP4K4 1458/4885CYP1A2 3692/4885CYP3A4 4063/4885

“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.