SCHEMBL1454840

SCHEMBL1454840

CC(C)c1ccc2c(Nc3cc(C(=O)Nc4ccc(C(F)(F)F)cn4)ccc3Sc3ccc(NC(=O)OCC(Cl)(Cl)Cl)cc3)ncnc2n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
BRAF P15056 2/20 0.34
PIM1 P11309 1/20 0.34
AKT2 P31751 1/20 0.34
PTGS1 P23219 1/20 0.33

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
SCHEMBL1455943 0.93 KCNQ3 (0.36) BRAFPIM1AKT2
SCHEMBL1455480 0.92 PIM1 (0.36) BRAFPIM1AKT2
SCHEMBL1455351 0.91 PIM1 (0.37) KDRPIM1AKT2
SCHEMBL1454418 0.87 PIM1 (0.39) KDRBRAFPIM1AKT2
SCHEMBL1456035 0.86 PTGS1 (0.48) PTGS1
SCHEMBL1454194 0.86 BRAF (0.38) BRAFPIM1AKT2
SCHEMBL1455257 0.85 PIM1 (0.36) BRAFPIM1AKT2
SCHEMBL1456020 0.84 KDM4E (0.35) BRAFPIM1AKT2
SCHEMBL1455350 0.84 PIM1 (0.39) KDRBRAFPIM1AKT2
SCHEMBL1455152 0.84 PIM1 (0.36) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US 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 (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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDR 3293/4885BRAF 4226/4885PIM1 2963/4885

“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.