SCHEMBL1455461

SCHEMBL1455461

COc1ccc(Sc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
BRAF P15056 6/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIM1 P11309 1/20 0.39
AKT2 P31751 1/20 0.39

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
SCHEMBL1455109 0.92 BRAF (0.50) KDRBRAF
SCHEMBL1454459 0.92 KDR (0.43) KDRBRAFPIM1AKT2
SCHEMBL1455092 0.91 KDR (0.44) KDRNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1454278 0.91 KDR (0.45) KDRNPC1RAB9APIM1AKT2
SCHEMBL1454097 0.91 PIM1 (0.41) KDRNPC1RAB9APIM1AKT2
SCHEMBL1454390 0.89 PIM1 (0.43) KDRBRAFPIM1AKT2
SCHEMBL1455891 0.89 PIM1 (0.48) NPC1RAB9APIM1AKT2
SCHEMBL1455739 0.89 PIM1 (0.39) LMNAPIM1AKT2
SCHEMBL1454440 0.88 PIM1 (0.40) BRAFPIM1AKT2
SCHEMBL1454558 0.88 NPC1 (0.44) KDRNPC1RAB9ASMN1; SMN2PIM1

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 4226/4885NPC1 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.