SCHEMBL9937149

SCHEMBL9937149

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.59
MAP2K1 Q02750 1/20 0.52
BRD4 O60885 1/20 0.44
CFTR P13569 1/20 0.43
NR4A2 P43354 7/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
CREBBP Q92793 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 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
SCHEMBL30818283 0.83 BRD4 (0.43) AXLBRD4GAAKMT2A
SCHEMBL30020999 0.81 AXL (0.63) AXLMAP2K1NR4A2CREBBP
SCHEMBL9938142 0.81 AXL (0.63) AXLMAP2K1NR4A2CREBBP
SCHEMBL9938466 0.80 AXL (0.64) AXLMAP2K1NR4A2CREBBPATM
SCHEMBL1427263 0.78 AXL (0.63) AXLMAP2K1NR4A2CREBBP
SCHEMBL9936933 0.78 AXL (0.63) AXLMAP2K1NR4A2CREBBP
SCHEMBL30676600 0.78 AXL (0.63) AXLMAP2K1NR4A2CREBBP
SCHEMBL27939107 0.77 ALDH1A1 (0.42) BRD4MAPK1MAPTKMT2A
SCHEMBL1466529 0.76 NR4A2 (0.65) MAP2K1CFTRNR4A2LMNACREBBP
SCHEMBL30587570 0.75 KDM4E (0.44) CFTRLMNAGAAMAPK1MAPT

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 4160/4885MAP2K1 958/4885BRD4 1782/4885

“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.