SCHEMBL5873073

SCHEMBL5873073

Cc1cc(F)cc2c(-c3nc(C(=O)N4CCN(C)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.40
TNKS O95271 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
KDR P35968 1/20 0.38
DYRK1A Q13627 4/20 0.38
WNT1 P04628 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37
NAMPT P43490 1/20 0.36
TLR8 Q9NR97 2/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
MAP4K1 Q92918 1/20 0.35

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
SCHEMBL5873110 0.92 MKNK1 (0.42) PIM1HCRTR1HCRTR2ABL1BCR
SCHEMBL5769525 0.92 PIM1 (0.41) PIM1ALDH1A1HTTKDRDYRK1A
SCHEMBL5872961 0.91 NAMPT (0.38) PIM1ALDH1A1HTTDYRK1AWNT1
SCHEMBL5873068 0.89 ALDH1A1 (0.42) ALDH1A1HTTKMT2A
SCHEMBL5795447 0.88 PIM1 (0.41) PIM1TNKSALDH1A1HTTKDR
SCHEMBL5872927 0.87 ALDH1A1 (0.41) ALDH1A1DYRK1AHCRTR1HCRTR2NAMPT
SCHEMBL5872946 0.87 HRH4 (0.40) PIM1ALDH1A1HTTKDRDYRK1A
SCHEMBL5873098 0.86 KDM5A (0.39) PIM1DYRK1AWNT1HCRTR1HCRTR2
SCHEMBL5872979 0.85 PIM1 (0.40) PIM1ALDH1A1HTTDYRK1AWNT1
SCHEMBL5873004 0.85 PIM1 (0.42) PIM1ALDH1A1HTTKDRDYRK1A

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 1909/4885TNKS 59/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PIM1 1909/4885TNKS 59/4885ALDH1A1 2272/4885

“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.