SCHEMBL5463276

SCHEMBL5463276

Fc1cccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ncccc4Cl)CC3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.60
CTSB P07858 1/20 0.60
CTSS P25774 1/20 0.60
CTSK P43235 1/20 0.60
CHEK1 O14757 1/20 0.55
KMT2A Q03164 2/20 0.54
PIK3CA P42336 1/20 0.53
MTOR P42345 1/20 0.53
JAK3 P52333 1/20 0.53
NTRK2 Q16620 1/20 0.53
CAMK2A Q9UQM7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 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
SCHEMBL5451461 0.91 HTT (0.52) CTSLCTSBCTSSCTSKCHEK1
SCHEMBL5446802 0.90 LMNA (0.53) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL5444467 0.90 LMNA (0.53) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL5451317 0.90 PIK3CA (0.66) CHEK1KMT2APIK3CAMTORJAK3
SCHEMBL14581611 0.90 CTSL (0.51) CTSLCTSBCTSSCTSKCHEK1
SCHEMBL5441964 0.90 CTSL (0.51) CTSLCTSBCTSSCTSKCHEK1
SCHEMBL5455045 0.89 MAPT (0.65) CTSLCTSSCTSKCHEK1KMT2A
SCHEMBL5448835 0.88 TDP1 (0.58) KMT2APIK3CAMTORJAK3NTRK2
SCHEMBL5445234 0.88 LMNA (0.69) CHEK1KMT2APIK3CAMTORJAK3
SCHEMBL5441147 0.87 CTSL (0.58) CTSLCTSBCTSSCTSKCHEK1

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 CTSL 2271/4885CTSB 1741/4885CTSS 1645/4885

“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.