SCHEMBL1455176

SCHEMBL1455176

CC(C)c1ccc2c(Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
BRAF P15056 9/20 0.47
PIM1 P11309 1/20 0.42
AKT2 P31751 1/20 0.42
LCK P06239 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL1454858 0.95 KDR (0.45) POLBBRAFPIM1AKT2KDR
SCHEMBL1455109 0.92 BRAF (0.50) POLBBRAFKDR
SCHEMBL1454459 0.92 KDR (0.43) POLBBRAFPIM1AKT2KDR
SCHEMBL1454390 0.92 PIM1 (0.43) POLBBRAFPIM1AKT2KDR
SCHEMBL1455379 0.91 PIM1 (0.44) POLBBRAFPIM1AKT2KDR
SCHEMBL1454744 0.90 PIM1 (0.48) BRAFPIM1AKT2MAPK14
SCHEMBL1454513 0.89 BRAF (0.47) POLBBRAFKDRTEK
SCHEMBL1454036 0.89 PIM1 (0.47) PIM1AKT2
SCHEMBL1455745 0.89 BRAF (0.48) BRAFLCKKDR
SCHEMBL1455369 0.89 KDR (0.45) POLBBRAFKDR

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 POLB 442/4885BRAF 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.