SCHEMBL5442152

SCHEMBL5442152

CCN(CC)c1nc(Nc2ccc(F)cc2)nc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.58
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BLM P54132 1/20 0.51
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CFTR P13569 2/20 0.46
GFER P55789 1/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HTR1A P08908 2/20 0.41

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
SCHEMBL5456665 0.89 MAPK1 (0.46) MAPK1MEN1KMT2ABLMALDH1A1
SCHEMBL5441116 0.83 MEN1 (0.48) MAPK1MEN1KMT2ABLMMAPT
SCHEMBL3879137 0.80 MAPT (0.44) MEN1KMT2AALDH1A1MAPTGFER
SCHEMBL5448811 0.78 TRPV1 (0.51) MAPK1MEN1KMT2AALDH1A1MAPT
SCHEMBL5451394 0.77 MAPT (0.59) MAPK1MEN1KMT2AALDH1A1MAPT
SCHEMBL15613281 0.76 CYBB (0.57) MAPK1ALDH1A1MAPTUSP2NPSR1
SCHEMBL5449419 0.74 CFTR (0.47) CFTR
SCHEMBL5445745 0.74 MALT1 (0.42) CFTR
SCHEMBL5451387 0.72 CTSL (0.45) MAPK1MEN1KMT2AMAPTNPSR1
SCHEMBL5446691 0.69 MAPT (0.53) MAPK1MAPTKDM4EHTR2AFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US claimed
EP-1651636-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-05-03 EP claimed
WO-2005007646-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO claimed
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 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-20070043049-A1 Substituted heterocyclic diarylamine analogues GPR35, NPY1R, BDKRB1 MAPK1 2316/4885MEN1 2882/4885KMT2A 1861/4885

“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.