SCHEMBL1455474

SCHEMBL1455474

CC(C)c1ccc2c(Cl)ncnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
EGFR P00533 1/20 0.40
ENPP1 P22413 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.37
PDE1B Q01064 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FYN P06241 1/20 0.35
SRC P12931 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL14442426 0.80 IRAK4 (0.41) EGFRIRAK4NPC1RAB9AMEN1
SCHEMBL10058352 0.80 KIF11 (0.40) EGFRIRAK4PDE1BNPC1RAB9A
SCHEMBL14572004 0.79 EGFR (0.40) EGFRIRAK4NPC1RAB9AMEN1
SCHEMBL17249514 0.79 PI4KA (0.48) EGFRIRAK4NPC1RAB9AMEN1
SCHEMBL20047527 0.76 EGFR (0.36) EGFRIRAK4NPC1RAB9AMEN1
SCHEMBL856083 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL4185027 0.75 NFKB1 (0.42) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL401110 0.75 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL29416410 0.75 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL22749328 0.75 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (2 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE4A 4074/4885PDE4B 4105/4885PDE4C 3895/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE4A 4074/4885PDE4B 4105/4885PDE4C 3895/4885

“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.