SCHEMBL1455142

SCHEMBL1455142

CC(C)c1ccc2c(Nc3cc(C(=O)N(C)c4ccc(F)cc4)ccc3Sc3ccc(NC(=O)OCC(Cl)(Cl)Cl)cc3)ncnc2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
AKT2 P31751 1/20 0.35
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPT P10636 1/20 0.31
GRM5 P41594 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL1454998 0.88 PIM1 (0.38) PIM1AKT2
SCHEMBL5054510 0.87 PIM1 (0.37) PIM1AKT2MAPT
SCHEMBL1455263 0.87 PIM1 (0.35) PIM1AKT2LMNAMAPT
SCHEMBL1455943 0.87 KCNQ3 (0.36) PIM1AKT2KCNQ3KCNQ2
SCHEMBL1455352 0.86 PIM1 (0.37) PIM1AKT2
SCHEMBL1455669 0.85 PIM1 (0.36) PIM1AKT2USP2LMNACYP1A2
SCHEMBL1454418 0.85 PIM1 (0.39) PIM1AKT2
SCHEMBL1454194 0.85 BRAF (0.38) PIM1AKT2KCNQ3KCNQ2
SCHEMBL27889483 0.84 NR3C2 (0.35) PIM1AKT2USP2LMNACYP1A2
SCHEMBL1455126 0.83 HPGDS (0.35) PIM1AKT2

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 9 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
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 PIM1 2963/4885AKT2 3903/4885KCNQ3 4388/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885KCNQ3 4388/4885

“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.