SCHEMBL5872877

SCHEMBL5872877

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.46
TLR9 Q9NR96 3/20 0.46
TLR8 Q9NR97 3/20 0.46
TLR7 Q9NYK1 2/20 0.46
ACVR1 Q04771 1/20 0.43
NTRK1 P04629 5/20 0.42
MAPK1 P28482 1/20 0.41
KDR P35968 2/20 0.39
ETV6 P41212 2/20 0.39

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 0.90 PLK4 (0.47) TLR9TLR8TLR7ACVR1NTRK1
SCHEMBL5873162 0.89 NTRK1 (0.55) TLR9TLR8TLR7ACVR1NTRK1
SCHEMBL6506307 0.88 LRRK2 (0.53) LRRK2NTRK1MAPK1KDRETV6
SCHEMBL5872891 0.86 FLT3 (0.46) LRRK2TLR8TLR7ACVR1NTRK1
SCHEMBL5873038 0.85 NTRK1 (0.40) LRRK2ACVR1NTRK1MAPK1
SCHEMBL5872887 0.83 ACVR1 (0.44) ACVR1NTRK1
SCHEMBL5873134 0.83 PIM1 (0.42) ACVR1NTRK1
SCHEMBL5873069 0.80 KDR (0.43) ACVR1NTRK1KDRETV6
SCHEMBL5873036 0.78 IDO1 (0.43) LRRK2
SCHEMBL5872977 0.78 TNKS (0.46) LRRK2TLR9TLR8TLR7ACVR1

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 LRRK2 2922/4885TLR9 956/4885TLR8 1034/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B LRRK2 2922/4885TLR9 956/4885TLR8 1034/4885

“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.