SCHEMBL5872977

SCHEMBL5872977

Cc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(N2CCN(C)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.46
PLK4 O00444 3/20 0.44
FLT3 P36888 3/20 0.44
AURKA O14965 2/20 0.44
NTRK1 P04629 3/20 0.43
FGFR1 P11362 2/20 0.43
FLT1 P17948 1/20 0.43
MAP4K1 Q92918 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ACVR1 Q04771 2/20 0.40
KDR P35968 1/20 0.40
ETV6 P41212 1/20 0.40
TGFBR1 P36897 2/20 0.40
ACVR1B P36896 1/20 0.40
LRRK2 Q5S007 1/20 0.40
TDO2 P48775 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 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
SCHEMBL5873090 0.87 PLK4 (0.47) TNKSPLK4FLT3AURKANTRK1
SCHEMBL5748633 0.86 FGFR1 (0.53) FGFR1FLT1MAP4K1LRRK2
SCHEMBL19928100 0.84 PLK4 (0.55) TNKSPLK4FLT3AURKANTRK1
SCHEMBL5774743 0.79 IDO1 (0.43) AURKAFGFR1FLT1KDRETV6
SCHEMBL5872877 0.78 LRRK2 (0.46) NTRK1TLR9TLR8TLR7ACVR1
SCHEMBL5873162 0.78 NTRK1 (0.55) NTRK1TLR9TLR8TLR7ACVR1
SCHEMBL6506307 0.77 LRRK2 (0.53) PLK4FLT3NTRK1FGFR1FLT1
SCHEMBL5771063 0.76 LRRK2 (0.54) AURKAFGFR1FLT1MAP4K1LRRK2
SCHEMBL5872891 0.76 FLT3 (0.46) FLT3NTRK1FGFR1TLR8TLR7
SCHEMBL5873038 0.75 NTRK1 (0.40) PLK4FLT3AURKANTRK1FGFR1

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
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B TNKS 59/4885PLK4 954/4885FLT3 1967/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B TNKS 59/4885PLK4 954/4885FLT3 1967/4885

“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.