SCHEMBL5456731

SCHEMBL5456731

FC(F)(F)c1cccnc1N1CCN(c2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.60
MTOR P42345 1/20 0.60
JAK3 P52333 1/20 0.60
NTRK2 Q16620 1/20 0.60
CAMK2A Q9UQM7 1/20 0.60
TRPV1 Q8NER1 8/20 0.57
USP2 O75604 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 3/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CHEK1 O14757 1/20 0.52
KMT2A Q03164 2/20 0.52
HSD11B1 P28845 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL5450135 0.91 SMG1 (0.52) PIK3CAMTORJAK3NTRK2CAMK2A
SCHEMBL5448980 0.91 TRPV1 (0.60) TRPV1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL5441147 0.90 CTSL (0.58) TRPV1USP2SMN1; SMN2LMNATP53
SCHEMBL5446681 0.88 TRPV1 (0.56) TRPV1USP2SMN1; SMN2MAPT
SCHEMBL5451317 0.88 PIK3CA (0.66) PIK3CAMTORJAK3NTRK2CAMK2A
SCHEMBL5455349 0.85 MAPT (0.63) TRPV1USP2SMN1; SMN2LMNAHPGD
SCHEMBL5449040 0.85 TRPV1 (0.70) TRPV1
SCHEMBL5456557 0.84 LMNA (0.65) TRPV1USP2SMN1; SMN2LMNAALDH1A1
SCHEMBL3877647 0.84 HSD11B1 (0.52) PIK3CAMTORTRPV1ATMNPSR1
SCHEMBL5463276 0.80 CTSL (0.60) PIK3CAMTORJAK3NTRK2CAMK2A

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 PIK3CA 3113/4885MTOR 2532/4885JAK3 2403/4885

“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.