SCHEMBL5873090

SCHEMBL5873090

Cc1sc(-c2n[nH]c3ccccc23)nc1-c1ccc(N2CCN(C)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 4/20 0.47
FLT3 P36888 4/20 0.47
AURKA O14965 2/20 0.47
TNKS O95271 2/20 0.46
NTRK1 P04629 5/20 0.43
FGFR1 P11362 2/20 0.43
FLT1 P17948 1/20 0.43
ACVR1 Q04771 2/20 0.42
KDR P35968 2/20 0.42
ETV6 P41212 1/20 0.42
MAP4K1 Q92918 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
HAMP P81172 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL5872877 0.90 LRRK2 (0.46) NTRK1ACVR1KDRETV6TLR9
SCHEMBL5873162 0.90 NTRK1 (0.55) NTRK1ACVR1BMPR1ATLR9TLR8
SCHEMBL6506307 0.89 LRRK2 (0.53) PLK4FLT3NTRK1FGFR1FLT1
SCHEMBL5872891 0.88 FLT3 (0.46) FLT3NTRK1FGFR1ACVR1KDR
SCHEMBL19928100 0.87 PLK4 (0.55) PLK4FLT3AURKATNKSNTRK1
SCHEMBL5872977 0.87 TNKS (0.46) PLK4FLT3AURKATNKSNTRK1
SCHEMBL5873038 0.87 NTRK1 (0.40) PLK4FLT3AURKANTRK1FGFR1
SCHEMBL5770987 0.86 FGFR1 (0.53) FGFR1FLT1MAP4K1
SCHEMBL5872887 0.85 ACVR1 (0.44) NTRK1FGFR1ACVR1FGFR2FGFR3
SCHEMBL5873134 0.84 PIM1 (0.42) PLK4FLT3NTRK1FGFR1ACVR1

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 PLK4 954/4885FLT3 1967/4885AURKA 560/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PLK4 954/4885FLT3 1967/4885AURKA 560/4885

“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.