SCHEMBL9938466

SCHEMBL9938466

COC(=O)c1c[nH]c2ncc(C)cc12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.64
NR4A2 P43354 10/20 0.57
MAP2K1 Q02750 1/20 0.57
CREBBP Q92793 1/20 0.46
BRAF P15056 1/20 0.44
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.42
NEK1 Q96PY6 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
SCHEMBL13941746 0.85 AXL (0.50) AXLMAP2K1BRAFCYP2C19
SCHEMBL30267564 0.85 AXL (0.50) AXLMAP2K1BRAFCYP2C19
SCHEMBL12146867 0.84 CYP2C19 (0.47) AXLNR4A2MAP2K1BRAFCYP2C19
SCHEMBL30020999 0.83 AXL (0.63) AXLNR4A2MAP2K1CREBBPNEK1
SCHEMBL30676600 0.83 AXL (0.63) AXLNR4A2MAP2K1CREBBPBRAF
SCHEMBL9938142 0.83 AXL (0.63) AXLNR4A2MAP2K1CREBBPNEK1
SCHEMBL9936933 0.83 AXL (0.63) AXLNR4A2MAP2K1CREBBPBRAF
SCHEMBL1427263 0.83 AXL (0.63) AXLNR4A2MAP2K1CREBBPBRAF
SCHEMBL15942804 0.83 BRAF (0.45) AXLNR4A2MAP2K1BRAFCYP2C19
SCHEMBL19657575 0.81 NTRK1 (0.47) AXLNR4A2MAP2K1CREBBPBRAF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 AXL 4160/4885NR4A2 3995/4885MAP2K1 958/4885

“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.