SCHEMBL1454698

SCHEMBL1454698

Cc1ccc2c(Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3Sc3ccc(N)cc3)ncnc2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.51
PTGS1 P23219 1/20 0.48
KDR P35968 2/20 0.48
LCK P06239 1/20 0.47
BTK Q06187 1/20 0.47
CSF1R P07333 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL811304 0.93 PIM1 (0.52) BRAFKDRCSF1RKIT
SCHEMBL1455745 0.91 BRAF (0.48) BRAFPTGS1KDRLCKBTK
SCHEMBL1454236 0.89 PIM1 (0.50)
SCHEMBL1454513 0.86 BRAF (0.47) BRAFKDR
SCHEMBL1455523 0.86 KDR (0.52) BRAFPTGS1KDRLCKBTK
SCHEMBL1455761 0.85 PIM1 (0.50) KDR
SCHEMBL1454858 0.85 KDR (0.45) BRAFKDR
SCHEMBL1455867 0.84 PIM1 (0.50) KDRLCK
SCHEMBL1455369 0.84 KDR (0.45) BRAFKDR
SCHEMBL1455689 0.83 PIM1 (0.50) KDR

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 BRAF 4226/4885PTGS1 2132/4885KDR 3293/4885

“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.