SCHEMBL1734243

SCHEMBL1734243

CCN(CC)c1nc(C(N)=O)cc(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
DPP4 P27487 4/20 0.51
DPP8 Q6V1X1 3/20 0.51
ALPL P05186 5/20 0.46
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
GRM2 Q14416 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
CRHR1 P34998 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DHODH Q02127 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
SCHEMBL1734237 0.90 KDM4E (0.60) KDM4EDPP4DPP8ALPLGRM2
SCHEMBL1733524 0.84 KDM4E (0.56) KDM4EMAPTLMNA
SCHEMBL1733735 0.84 KDM4E (0.76) KDM4EGRM2MAPTLMNACNR1
SCHEMBL1734561 0.82 KDM4E (0.62) KDM4EGRM2RXFP1
SCHEMBL1733687 0.81 KDM4E (0.75) KDM4ECNR1CNR2
SCHEMBL1733668 0.80 KDM4E (0.70) KDM4EDPP4DPP8GRM2MAPT
SCHEMBL1734416 0.79 KDM4E (0.69) KDM4EMAPTLMNADHODH
SCHEMBL1734433 0.78 KDM4E (0.60) KDM4EGRM2
SCHEMBL1733601 0.78 KDM4E (0.60) KDM4EGRM2
SCHEMBL1733748 0.78 KDM4E (0.70) KDM4EGRM2MAPTCRHR1

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 3910/4885DPP4 1613/4885DPP8 2450/4885

“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.