SCHEMBL5873134

SCHEMBL5873134

Cc1sc(-c2n[nH]c3ccccc23)nc1-c1ccc(N2CCC(O)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.42
ACVR1 Q04771 5/20 0.40
FGFR1 P11362 3/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
AURKB Q96GD4 2/20 0.39
PLK4 O00444 1/20 0.39
FLT3 P36888 1/20 0.39
NTRK1 P04629 1/20 0.39
METAP2 P50579 1/20 0.38

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
SCHEMBL5872887 0.84 ACVR1 (0.44) PIM1ACVR1FGFR1FGFR2FGFR3
SCHEMBL5873162 0.84 NTRK1 (0.55) PIM1ACVR1NTRK1
SCHEMBL5873090 0.84 PLK4 (0.47) ACVR1FGFR1FGFR2FGFR3AURKB
SCHEMBL6506307 0.83 LRRK2 (0.53) FGFR1PLK4FLT3NTRK1
SCHEMBL5873038 0.83 NTRK1 (0.40) ACVR1FGFR1FGFR2FGFR3PLK4
SCHEMBL5872877 0.83 LRRK2 (0.46) ACVR1NTRK1
SCHEMBL5872891 0.82 FLT3 (0.46) PIM1ACVR1FGFR1FGFR2FGFR3
SCHEMBL5873036 0.76 IDO1 (0.43) PIM1FGFR1AURKBFLT3
SCHEMBL5873069 0.76 KDR (0.43) ACVR1FGFR1FGFR2FGFR3NTRK1
SCHEMBL5873142 0.73 ACVR1 (0.39) PIM1ACVR1FGFR1FGFR2FGFR3

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 PIM1 1909/4885ACVR1 4477/4885FGFR1 3930/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PIM1 1909/4885ACVR1 4477/4885FGFR1 3930/4885

“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.