SCHEMBL5872961

SCHEMBL5872961

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
DYRK1A Q13627 3/20 0.38
WNT1 P04628 2/20 0.38
KDM5A P29375 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
ATAD2 Q6PL18 1/20 0.35
ADORA2A P29274 2/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CCND1 P24385 1/20 0.34
CDK6 Q00534 1/20 0.34
PIM1 P11309 2/20 0.34
PARP1 P09874 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP21A2 P08686 1/20 0.34

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
SCHEMBL5872886 0.92 NAMPT (0.39) NAMPTDYRK1AWNT1KDM5AATAD2
SCHEMBL5873073 0.91 PIM1 (0.40) NAMPTDYRK1AWNT1HCRTR1HCRTR2
SCHEMBL5873110 0.90 MKNK1 (0.42) NAMPTKDM5AHCRTR1HCRTR2ABL1
SCHEMBL5873068 0.87 ALDH1A1 (0.42) ALDH1A1HTTKMT2APARP1MAPT
SCHEMBL5872927 0.85 ALDH1A1 (0.41) NAMPTDYRK1AHCRTR1HCRTR2MEN1
SCHEMBL5872913 0.85 DYRK1A (0.40) NAMPTDYRK1AWNT1KDM5AHCRTR1
SCHEMBL5873098 0.84 KDM5A (0.39) DYRK1AWNT1KDM5AHCRTR1HCRTR2
SCHEMBL5872979 0.83 PIM1 (0.40) DYRK1AWNT1ATAD2ALDH1A1HTT
SCHEMBL5769525 0.83 PIM1 (0.41) NAMPTDYRK1AWNT1ABL1BCR
SCHEMBL5873067 0.82 MKNK1 (0.43) NAMPTKDM5AMEN1ALDH1A1HTT

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 NAMPT 975/4885DYRK1A 1836/4885WNT1 3712/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NAMPT 975/4885DYRK1A 1836/4885WNT1 3712/4885

“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.