SCHEMBL5873069

SCHEMBL5873069

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.43
ETV6 P41212 4/20 0.43
PARP1 P09874 5/20 0.43
NTRK1 P04629 4/20 0.38
ME2 P23368 3/20 0.37
ME1 P48163 3/20 0.37
ME3 Q16798 3/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR3 P22607 2/20 0.37
ACVR1 Q04771 2/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
HAMP P81172 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5872891 0.85 FLT3 (0.46) KDRETV6NTRK1FGFR1FGFR2
SCHEMBL5873090 0.81 PLK4 (0.47) KDRETV6NTRK1FGFR1FGFR2
SCHEMBL5872877 0.80 LRRK2 (0.46) KDRETV6NTRK1ACVR1
SCHEMBL5873162 0.79 NTRK1 (0.55) NTRK1ACVR1BMPR1A
SCHEMBL6506307 0.79 LRRK2 (0.53) KDRETV6NTRK1FGFR1
SCHEMBL5873038 0.77 NTRK1 (0.40) NTRK1FGFR1FGFR2FGFR3ACVR1
SCHEMBL5873134 0.76 PIM1 (0.42) NTRK1FGFR1FGFR2FGFR3ACVR1
SCHEMBL5872887 0.74 ACVR1 (0.44) NTRK1FGFR1FGFR2FGFR3ACVR1
SCHEMBL5872977 0.72 TNKS (0.46) KDRETV6NTRK1FGFR1FGFR2
SCHEMBL5873036 0.70 IDO1 (0.43) FGFR1

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 KDR 4741/4885ETV6 3569/4885PARP1 211/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDR 4741/4885ETV6 3569/4885PARP1 211/4885

“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.