SCHEMBL5785352

SCHEMBL5785352

Fc1ccc2c(-c3c(F)cccc3F)nc(N[C@@H]3CCNC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.46
CHEK2 O96017 3/20 0.46
IDH2 P48735 2/20 0.44
PRKCZ Q05513 1/20 0.42
MAOB P27338 1/20 0.42
HTR6 P50406 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
CCNT1 O60563 7/20 0.41
CCNK O75909 7/20 0.41
CCNE1 P24864 7/20 0.41
CDK2 P24941 7/20 0.41
CDK9 P50750 7/20 0.41
CDK12 Q9NYV4 7/20 0.41
CDK7 P50613 5/20 0.41
CCNH P51946 5/20 0.41
MNAT1 P51948 5/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL5787422 1.00 CHEK1 (0.46) CHEK1CHEK2IDH2PRKCZMAOB
SCHEMBL5785357 1.00 CHEK1 (0.46) CHEK1CHEK2IDH2PRKCZMAOB
SCHEMBL5785917 0.89 CHEK2 (0.46) CHEK1CHEK2IDH2MAOBHTR6
SCHEMBL5785921 0.89 CHEK2 (0.46) CHEK1CHEK2IDH2MAOBHTR6
SCHEMBL5786424 0.89 CHEK2 (0.46) CHEK1CHEK2IDH2MAOBHTR6
SCHEMBL5788164 0.88 CHEK2 (0.48) CHEK1CHEK2IDH2MAOBHTR6
SCHEMBL5784922 0.88 CHEK2 (0.48) CHEK1CHEK2IDH2MAOBHTR6
SCHEMBL5785833 0.88 CHEK2 (0.48) CHEK1CHEK2IDH2MAOBHTR6
SCHEMBL5786413 0.86 CHEK1 (0.45) CHEK1CHEK2IDH2HRH4CCNT1
SCHEMBL5803691 0.86 CHEK1 (0.45) CHEK1CHEK2IDH2HRH4CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP disclosed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO disclosed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 CHEK1 4173/4885CHEK2 4060/4885IDH2 3817/4885

“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.