SCHEMBL5456665

SCHEMBL5456665

CCN(CC)c1nc(Nc2ccc(F)c(F)c2)nc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.46
ALDH1A1 P00352 4/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 5/20 0.43
GALR1 P47211 1/20 0.43
TERT O14746 1/20 0.41
TSHR P16473 2/20 0.40
CHRNA7 P36544 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AXL P30530 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL5442152 0.89 MAPK1 (0.58) MAPK1ALDH1A1USP2MEN1KMT2A
SCHEMBL5445745 0.84 MALT1 (0.42) TERTTDP1
SCHEMBL3879137 0.80 MAPT (0.44) ALDH1A1MEN1KMT2AGFERMAPT
SCHEMBL14581609 0.77 TRPV1 (0.46) TERT
SCHEMBL5451291 0.77 TRPV1 (0.46) TERT
SCHEMBL5451394 0.76 MAPT (0.59) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14581608 0.76 TRPV1 (0.45) GALR1
SCHEMBL5455696 0.76 TRPV1 (0.45) GALR1
SCHEMBL3247212 0.76 GALR1 (0.47) MAPK1ALDH1A1MAPTGALR1TSHR
SCHEMBL14581613 0.75 TERT (0.38) TERTBMPR2

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 2316/4885ALDH1A1 947/4885USP2 4426/4885

“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.