SCHEMBL1455867

SCHEMBL1455867

Cc1ccc2c(Nc3cc(C(=O)Nc4cccc(Br)c4)ccc3Sc3ccc(N)cc3)ncnc2n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.50
AKT2 P31751 1/20 0.50
EGFR P00533 10/20 0.47
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
ERBB2 P04626 1/20 0.42
ERBB4 Q15303 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
AURKB Q96GD4 1/20 0.41

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
SCHEMBL1454236 0.94 PIM1 (0.50) PIM1AKT2EGFRERBB2ERBB4
SCHEMBL1454641 0.93 PIM1 (0.58) PIM1AKT2EGFRINSRLCK
SCHEMBL1455689 0.91 PIM1 (0.50) PIM1AKT2EGFRKDR
SCHEMBL1454779 0.90 EGFR (0.45) EGFRERBB2ERBB4ABCG2
SCHEMBL1455761 0.90 PIM1 (0.50) PIM1AKT2EGFRKDR
SCHEMBL1455211 0.89 PIM1 (0.50) PIM1AKT2EGFRINSRLCK
SCHEMBL1455683 0.88 EGFR (0.54) EGFRKDRERBB2ERBB4ABCG2
SCHEMBL1455346 0.88 PIM1 (0.48) PIM1AKT2EGFRSRCKDR
SCHEMBL1454484 0.85 NPC1 (0.42) PIM1AKT2EGFRERBB2ERBB4
SCHEMBL1454698 0.84 BRAF (0.51) LCKKDR

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 3903/4885EGFR 2701/4885

“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.