SCHEMBL5451317

SCHEMBL5451317

Clc1cccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ncccc4Cl)CC3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.66
MTOR P42345 1/20 0.66
JAK3 P52333 1/20 0.66
NTRK2 Q16620 1/20 0.66
CAMK2A Q9UQM7 1/20 0.66
LMNA P02545 3/20 0.58
TP53 P04637 2/20 0.58
USP2 O75604 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
ATM Q13315 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CHEK1 O14757 1/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 1/20 0.54
HTT P42858 1/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54
MEN1 O00255 1/20 0.53
CDK1 P06493 1/20 0.52

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
SCHEMBL5463276 0.90 CTSL (0.60) PIK3CAMTORJAK3NTRK2CAMK2A
SCHEMBL5455053 0.89 LMNA (0.58) LMNAALDH1A1NPSR1KMT2ATDP1
SCHEMBL5445234 0.89 LMNA (0.69) PIK3CAMTORJAK3NTRK2CAMK2A
SCHEMBL5448835 0.88 TDP1 (0.58) PIK3CAMTORJAK3NTRK2CAMK2A
SCHEMBL5456731 0.88 PIK3CA (0.60) PIK3CAMTORJAK3NTRK2CAMK2A
SCHEMBL5441179 0.84 LMNA (0.69) LMNATP53ALDH1A1HPGDNPSR1
SCHEMBL5455045 0.84 MAPT (0.65) PIK3CAMTORJAK3NTRK2CAMK2A
SCHEMBL3883380 0.82 PIK3CA (0.50) PIK3CAMTOR
SCHEMBL5455549 0.82 TRPV1 (0.56) LMNAUSP2NPSR1TDP1HTT
SCHEMBL5446647 0.82 CFTR (0.48) 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.