SCHEMBL1734276

SCHEMBL1734276

CCN(CCO)c1nc(C(=O)NC)cc(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
CHEK1 O14757 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
PDGFRA P16234 1/20 0.40
GSK3B P49841 1/20 0.40
RPS6KA3 P51812 1/20 0.40
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40
TYRO3 Q06418 1/20 0.40
MAPK14 Q16539 1/20 0.40
LRRK2 Q5S007 1/20 0.40
AURKB Q96GD4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
BRD4 O60885 4/20 0.40
NAPEPLD Q6IQ20 4/20 0.40
ADORA1 P30542 6/20 0.40
ADORA2A P29274 4/20 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
SCHEMBL1734465 0.92 KDM4E (0.72) KDM4ECHEK1RETPDGFRBPIM1
SCHEMBL1733611 0.86 KDM4E (0.83) KDM4EADORA1ADORA2AADORA3ADORA2B
SCHEMBL1734405 0.83 KDM4E (0.70) KDM4EBRD4NAPEPLDADORA1ADORA2A
SCHEMBL1733585 0.80 KDM4E (0.66) KDM4ENAPEPLDADORA1ADORA2AADORA3
SCHEMBL1734428 0.78 KDM4E (0.73) KDM4EADORA1ADORA2AADORA3ADORA2B
SCHEMBL1733742 0.77 KDM4E (0.85) KDM4EADORA1ADORA2AADORA3ADORA2B
SCHEMBL1733607 0.76 KDM4E (1.00) KDM4EADORA1ADORA2AADORA3ADORA2B
SCHEMBL1735536 0.76 KDM4E (0.70) KDM4EADORA1ADORA3MEN1KMT2A
SCHEMBL1733610 0.75 KDM4E (0.81) KDM4EADORA1ADORA3MEN1KMT2A
SCHEMBL1734520 0.75 KDM4E (0.74) KDM4EADORA1ADORA2AADORA3ADORA2B

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 3910/4885CHEK1 3596/4885RET 1116/4885

“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.