SCHEMBL5450135

SCHEMBL5450135

FC(F)(F)c1cccnc1N1CCN(c2cc(N3CCOCC3)nc(Nc3cccc(Cl)c3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 2/20 0.52
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
CHEK1 O14757 1/20 0.52
TRPV1 Q8NER1 6/20 0.51
HSD11B1 P28845 2/20 0.50
MTOR P42345 2/20 0.48
PIK3CA P42336 1/20 0.48
JAK3 P52333 1/20 0.48
NTRK2 Q16620 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
TRPA1 O75762 1/20 0.48
CAMK2D Q13557 1/20 0.48
USP2 O75604 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5456731 0.91 PIK3CA (0.60) CHEK1TRPV1HSD11B1MTORPIK3CA
SCHEMBL5453871 0.89 TRPV1 (0.57) SMG1CDK1CDK2CHEK1TRPV1
SCHEMBL5448943 0.86 CHEK1 (0.54) SMG1CDK2CHEK1TRPV1HSD11B1
SCHEMBL5443283 0.86 TRPV1 (0.52) CHEK1TRPV1HSD11B1LMNAHPGD
SCHEMBL5454492 0.85 TRPV1 (0.51) TRPV1HSD11B1ALDH1A1LMNAHPGD
SCHEMBL3582371 0.84 HSD11B1 (0.52) TRPV1HSD11B1MTORPIK3CATRPA1
SCHEMBL3884196 0.83 HSD11B1 (0.53) TRPV1HSD11B1TRPA1NPSR1EPHX2
SCHEMBL5442078 0.83 GALR2 (0.64) TRPV1HSD11B1SMN1; SMN2
SCHEMBL5448980 0.81 TRPV1 (0.60) TRPV1HSD11B1ALDH1A1LMNANPSR1
SCHEMBL5449394 0.80 TRPV1 (0.55) TRPV1PIK3CALMNAEPHX2

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 SMG1 4605/4885CDK1 3332/4885CDK2 2033/4885

“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.