SCHEMBL14544827

SCHEMBL14544827

N#Cc1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)nc1OC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.43
ERBB2 P04626 1/20 0.43
MAPK14 Q16539 4/20 0.39
MAPK11 Q15759 3/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
CHEK1 O14757 1/20 0.38
TDO2 P48775 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
SGK1 O00141 1/20 0.37
ALOX5 P09917 1/20 0.37
GCGR P47871 1/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL14545324 0.87 ERBB2 (0.44) KDM1AERBB2MAPK14MAPK11MAPK13
SCHEMBL14545607 0.83 HRH3 (0.44) ERBB2MAPK14MAPK11CHEK1TDO2
SCHEMBL14545598 0.77 NAMPT (0.41) KDM1AMAPK14MAPK11CHEK1
SCHEMBL14545644 0.76 MAPK10 (0.44) MAPK14MAPK9
SCHEMBL14545326 0.75 KDM4E (0.36) ERBB2
SCHEMBL14545457 0.74 NAMPT (0.39)
SCHEMBL14545647 0.73 NAMPT (0.41)
SCHEMBL4694198 0.72 ERBB2 (0.61) ERBB2MAPK14MAPK11MAPK13MAPK12
SCHEMBL14545407 0.70 ERBB2 (0.46) ERBB2MAPK14MAPK11MAPK13MAPK12
SCHEMBL14544960 0.69 MAPK14 (0.47) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 KDM1A 1397/4885ERBB2 516/4885MAPK14 3352/4885

“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.