SCHEMBL1454459

SCHEMBL1454459

CC(C)c1ccc2c(Nc3cc(C(=O)Nc4ccc(C(F)(F)F)cc4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
PIM1 P11309 1/20 0.42
AKT2 P31751 1/20 0.42
BRAF P15056 5/20 0.41
POLB P06746 1/20 0.39
TEK Q02763 1/20 0.39
MCHR1 Q99705 1/20 0.38

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
SCHEMBL1454390 0.97 PIM1 (0.43) KDRPIM1AKT2BRAFPOLB
SCHEMBL1455461 0.92 KDR (0.47) KDRPIM1AKT2BRAF
SCHEMBL1455176 0.92 POLB (0.49) KDRPIM1AKT2BRAFPOLB
SCHEMBL1454045 0.92 PIM1 (0.44) PIM1AKT2
SCHEMBL1454364 0.91 PIM1 (0.47) KDRPIM1AKT2
SCHEMBL1454858 0.91 KDR (0.45) KDRPIM1AKT2BRAFPOLB
SCHEMBL1454069 0.91 PIM1 (0.46) KDRPIM1AKT2POLB
SCHEMBL1454922 0.90 PIM1 (0.47) KDRPIM1AKT2
SCHEMBL1454744 0.90 PIM1 (0.48) PIM1AKT2BRAF
SCHEMBL1455853 0.89 PIM1 (0.44) KDRPIM1AKT2

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 3293/4885PIM1 2963/4885AKT2 3903/4885

“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.