SCHEMBL1454097

SCHEMBL1454097

COc1ccc(NC(=O)c2ccc(Sc3ccc(N)cc3)c(Nc3ncnc4nc(C(C)C)ccc34)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
AKT2 P31751 1/20 0.41
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
RET P07949 1/20 0.39
KDR P35968 3/20 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
SCHEMBL1455092 0.93 KDR (0.44) PIM1AKT2NPC1CASP3RAB9A
SCHEMBL2432135 0.93 PIM1 (0.39) PIM1AKT2
SCHEMBL1454278 0.93 KDR (0.45) PIM1AKT2NPC1CASP3RAB9A
SCHEMBL1454843 0.92 KDR (0.41) PIM1AKT2KDR
SCHEMBL1455595 0.91 KDR (0.42) PIM1AKT2KDR
SCHEMBL1455461 0.91 KDR (0.47) PIM1AKT2NPC1RAB9AKDR
SCHEMBL1455739 0.91 PIM1 (0.39) PIM1AKT2
SCHEMBL1454810 0.91 AURKA (0.38)
SCHEMBL1455600 0.90 MEN1 (0.42) PIM1AKT2NPC1RAB9ARET
SCHEMBL1455599 0.90 MEN1 (0.42) PIM1AKT2NPC1RAB9ARET

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 3 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
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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 (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 PIM1 2963/4885AKT2 3903/4885NPC1 37/4885

“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.