SCHEMBL5872891

SCHEMBL5872891

CC(=O)N1CCN(c2ccc(-c3nc(-c4n[nH]c5ccccc45)sc3C)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.46
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
LRRK2 Q5S007 4/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
CHEK1 O14757 1/20 0.43
KDR P35968 4/20 0.42
ETV6 P41212 4/20 0.42
PIM1 P11309 1/20 0.41
NTRK1 P04629 3/20 0.41
RET P07949 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 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 0.88 PLK4 (0.47) FLT3KDRETV6NTRK1TLR8
SCHEMBL5872877 0.86 LRRK2 (0.46) LRRK2KDRETV6NTRK1TLR8
SCHEMBL5873162 0.86 NTRK1 (0.55) PIM1NTRK1TLR8TLR7BMPR1A
SCHEMBL5873069 0.85 KDR (0.43) CKS1BSKP1SKP2KDRETV6
SCHEMBL6506307 0.85 LRRK2 (0.53) FLT3LRRK2KDRETV6NTRK1
SCHEMBL5873038 0.83 NTRK1 (0.40) FLT3LRRK2NTRK1FGFR1FGFR2
SCHEMBL5873134 0.82 PIM1 (0.42) FLT3PIM1NTRK1FGFR1FGFR2
SCHEMBL5872887 0.81 ACVR1 (0.44) PIM1NTRK1FGFR1FGFR2FGFR3
SCHEMBL5873036 0.76 IDO1 (0.43) FLT3LRRK2PIM1FGFR1
SCHEMBL5872977 0.76 TNKS (0.46) FLT3LRRK2KDRETV6NTRK1

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 FLT3 1967/4885CDK1 225/4885CCNB1 601/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B FLT3 1967/4885CDK1 225/4885CCNB1 601/4885

“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.