SCHEMBL6206922

SCHEMBL6206922

CCc1ccc(Nc2c(-c3nnc(N4CCN(C)CC4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
CYP3A4 P08684 1/20 0.35
KDR P35968 1/20 0.35
CSF1R P07333 8/20 0.34
KCNH2 Q12809 4/20 0.34
SCN5A Q14524 4/20 0.34
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
GPR4 P46093 1/20 0.31
WDR5 P61964 1/20 0.31

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
SCHEMBL6230497 0.97 KCNH2 (0.38) BCHEACHEBACE1CYP3A4KDR
SCHEMBL6207211 0.93 BCHE (0.37) BCHEACHEBACE1MAP2K2MAP2K1
SCHEMBL6404616 0.92 BCHE (0.37) BCHEACHEBACE1MAP2K2MAP2K1
SCHEMBL6206805 0.90 BCHE (0.39) BCHEACHEBACE1CSF1RALDH1A1
SCHEMBL6205424 0.87 ACHE (0.56) BCHEACHEBACE1
SCHEMBL6208052 0.86 HRH3 (0.34) BCHEACHEBACE1CYP3A4KDR
SCHEMBL6208348 0.85 EEF2K (0.37) BCHEACHEBACE1CYP3A4KCNH2
SCHEMBL6403567 0.84 BCHE (0.43) BCHEACHEBACE1KDM4EALDH1A1
SCHEMBL6398237 0.84 MAP2K2 (0.46) BCHEACHEBACE1CYP3A4KDR
SCHEMBL6207402 0.83 AVPR1A (0.33) BCHEACHEBACE1KDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US claimed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 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-20050004186-A1 MEK inhibiting compounds MAPK1, MAP3K1, MAPK3 BCHE 3693/4885ACHE 2974/4885BACE1 1561/4885

“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.