SCHEMBL1734520

SCHEMBL1734520

CCN(CC)c1nc(C(=O)N(C)C)cc(-c2ccccc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ADORA1 P30542 6/20 0.42
ADORA2A P29274 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2B P29275 2/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1734496 0.89 KDM4E (0.74) KDM4ESMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL1733607 0.85 KDM4E (1.00) KDM4ESMN1; SMN2KMT2AMEN1ADORA1
SCHEMBL1734465 0.83 KDM4E (0.72) KDM4EKMT2AMEN1ADORA1ADORA2A
SCHEMBL1734405 0.82 KDM4E (0.70) KDM4ESMN1; SMN2KMT2AMEN1ADORA1
SCHEMBL1734460 0.81 KDM4E (0.51) KDM4ESMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL1733585 0.79 KDM4E (0.66) KDM4ESMN1; SMN2ADORA1ADORA2AADORA3
SCHEMBL1734454 0.78 KDM4E (0.85) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1733742 0.78 KDM4E (0.85) KDM4ESMN1; SMN2KMT2AMEN1ADORA1
SCHEMBL4697271 0.78 KDM4E (0.65) KDM4ESMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL14510332 0.77 ADORA2A (0.56) KDM4ESMN1; SMN2RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US 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 3910/4885SMN1; SMN2 4832/4885RAB9A 1846/4885

“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.