SCHEMBL2426249

SCHEMBL2426249

COC(=O)c1cc(N)c(C#N)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.52
MAPT P10636 4/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 1/20 0.39
NOTUM Q6P988 1/20 0.38
ABL1 P00519 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL23930401 0.94 CFTR (0.56) CFTRMAPTKDM4EALDH1A1GAA
SCHEMBL22453008 0.83 CFTR (0.67) CFTRMAPTKDM4EALDH1A1GAA
SCHEMBL21028092 0.83 CFTR (0.63) CFTRMAPTKDM4EALDH1A1GAA
SCHEMBL2428349 0.83 CFTR (0.56) CFTRMAPTKDM4EALDH1A1GAA
SCHEMBL23754117 0.81 GAA (0.46) CFTRMAPTKDM4EALDH1A1GAA
SCHEMBL2427460 0.81 KDM4E (0.44) CFTRMAPTKDM4EALDH1A1GAA
SCHEMBL23930403 0.80 NOTUM (0.48) CFTRMAPTKDM4EALDH1A1GAA
SCHEMBL2242947 0.79 CFTR (0.57) CFTRMAPTKDM4EALDH1A1GAA
SCHEMBL2424785 0.79 KDM4E (0.49) CFTRMAPTKDM4EALDH1A1GAA
SCHEMBL31750055 0.79 KDM4E (0.49) CFTRMAPTKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 CFTR 1476/4885MAPT 586/4885KDM4E 4402/4885

“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.