SCHEMBL5873047

SCHEMBL5873047

Cc1sc(-c2n[nH]c3c(C(F)(F)F)cccc23)nc1-c1ccc(N2CC(C)NC(C)C2)nc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 12/20 0.36
FGFR1 P11362 9/20 0.34
FGFR2 P21802 6/20 0.34
FGFR3 P22607 5/20 0.34
PIM1 P11309 1/20 0.34
HDAC1 Q13547 1/20 0.33
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
CDK4 P11802 1/20 0.32
CDK6 Q00534 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
HAMP P81172 1/20 0.31

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
SCHEMBL5873142 0.90 ACVR1 (0.39) ACVR1FGFR1FGFR2FGFR3PIM1
SCHEMBL5873082 0.86 NTRK1 (0.42) PIM1TLR9TLR8TLR7
SCHEMBL5872887 0.83 ACVR1 (0.44) ACVR1FGFR1FGFR2FGFR3PIM1
SCHEMBL5873122 0.75 NTRK1 (0.45) ACVR1PIM1TLR9TLR8TLR7
SCHEMBL5873002 0.69 ACVR1 (0.34) ACVR1FGFR1FGFR2FGFR3HDAC1
SCHEMBL5873134 0.69 PIM1 (0.42) ACVR1FGFR1FGFR2FGFR3PIM1
SCHEMBL5873090 0.69 PLK4 (0.47) ACVR1FGFR1FGFR2FGFR3TLR9
SCHEMBL5873162 0.69 NTRK1 (0.55) ACVR1PIM1TLR9TLR8TLR7
SCHEMBL6506307 0.68 LRRK2 (0.53) FGFR1
SCHEMBL5872877 0.67 LRRK2 (0.46) ACVR1TLR9TLR8TLR7

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 ACVR1 4477/4885FGFR1 3930/4885FGFR2 4280/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ACVR1 4477/4885FGFR1 3930/4885FGFR2 4280/4885

“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.