SCHEMBL5873038

SCHEMBL5873038

Cc1sc(-c2n[nH]c3ccccc23)nc1-c1ccc(N2CCN(C3CCCC3)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.40
LRRK2 Q5S007 2/20 0.40
ACVR1 Q04771 6/20 0.40
FGFR1 P11362 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ABL1 P00519 1/20 0.39
FLT1 P17948 1/20 0.39
AURKA O14965 2/20 0.38
PLK4 O00444 1/20 0.38
FLT3 P36888 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37

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) NTRK1ACVR1FGFR1FLT1AURKA
SCHEMBL5872877 0.85 LRRK2 (0.46) NTRK1LRRK2ACVR1MAPK1
SCHEMBL5873162 0.85 NTRK1 (0.55) NTRK1ACVR1
SCHEMBL6506307 0.84 LRRK2 (0.53) NTRK1LRRK2FGFR1FLT1PLK4
SCHEMBL5873134 0.83 PIM1 (0.42) NTRK1ACVR1FGFR1PLK4FLT3
SCHEMBL5872891 0.83 FLT3 (0.46) NTRK1LRRK2ACVR1FGFR1FLT3
SCHEMBL5872887 0.82 ACVR1 (0.44) NTRK1ACVR1FGFR1FGFR2FGFR3
SCHEMBL5873069 0.77 KDR (0.43) NTRK1ACVR1FGFR1FGFR2FGFR3
SCHEMBL5873036 0.76 IDO1 (0.43) LRRK2FGFR1FLT1AURKAFLT3
SCHEMBL5872977 0.75 TNKS (0.46) NTRK1LRRK2ACVR1FGFR1FLT1

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 NTRK1 4731/4885LRRK2 2922/4885ACVR1 4477/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NTRK1 4731/4885LRRK2 2922/4885ACVR1 4477/4885

“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.