SCHEMBL1454679

SCHEMBL1454679

CC(C)c1ccc2c(Nc3cc(C(=O)Nc4nnc(C(C)(C)C)s4)ccc3Sc3ccc(N)cc3)ncnc2n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
PTGER3 P43115 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BRAF P15056 3/20 0.37

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
SCHEMBL1454820 0.94 BRAF (0.43) BRAF
SCHEMBL1456214 0.91 NPC1 (0.41) RAB9ANPC1KDM4E
SCHEMBL1454875 0.89 PIM1 (0.35) BRAF
SCHEMBL1454509 0.87 KDM4E (0.37) RAB9ANPC1KDM4E
SCHEMBL1455183 0.86 RAB9A (0.40) RAB9APTGER3NPC1KDM4EHTT
SCHEMBL1455694 0.86 KDM4E (0.39) RAB9APTGER3NPC1KDM4EHTT
SCHEMBL1455514 0.86 NPC1 (0.39) RAB9ANPC1
SCHEMBL1455272 0.86 MAPT (0.40) RAB9ANPC1
SCHEMBL2432135 0.86 PIM1 (0.39) BRAF
SCHEMBL1454087 0.86 PIM1 (0.38)

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 RAB9A 571/4885PTGER3 4588/4885NPC1 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.