SCHEMBL1734432

SCHEMBL1734432

CCN(CC)c1nc(C(N)=O)cc(-c2c(F)cccc2F)n1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
GRM2 Q14416 5/20 0.38
TYK2 P29597 2/20 0.37
SCN9A Q15858 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
CA5A P35218 1/20 0.35
RORC P51449 1/20 0.35
JAK2 O60674 1/20 0.34
TGFBR1 P36897 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1733617 0.86 KDM4E (0.69) KDM4EGRM2SCN9A
SCHEMBL1734279 0.82 KDM4E (0.64) KDM4ESCN9AMEN1KMT2AMAPT
SCHEMBL1733619 0.82 KDM4E (0.75) KDM4ESCN9AMEN1KMT2AMAPT
SCHEMBL1734337 0.81 KDM4E (0.76) KDM4EGRM2SCN9AALDH1A1HPGD
SCHEMBL1733607 0.80 KDM4E (1.00) KDM4ESCN9AMEN1KMT2AMAPT
SCHEMBL1733601 0.80 KDM4E (0.60) KDM4EGRM2SCN9A
SCHEMBL1734433 0.80 KDM4E (0.60) KDM4EGRM2SCN9A
SCHEMBL1733696 0.80 KDM4E (0.48) KDM4EGRM2MEN1KMT2AMAPT
SCHEMBL1734554 0.79 KDM4E (0.66) KDM4EGRM2SCN9AMEN1KMT2A
SCHEMBL1733659 0.79 KDM4E (0.70) KDM4EGRM2SCN9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US claimed
EP-1891018-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2011-11-16 EP claimed
WO-2011131686-A1 A THERMALLY CONTROLLED ASSEMBLY NAPATECH A/S (DK) 2011-10-27 WO claimed
EP-1891018-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals, Inc. (US) 2008-02-27 EP claimed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US claimed
WO-2006127588-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO claimed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 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-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 KDM4E 3910/4885GRM2 3521/4885TYK2 4865/4885

“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.