SCHEMBL5872913

SCHEMBL5872913

Cc1c(Cl)ccc2c(-c3nc(C(=O)N4CCN(C(C)C)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
NAMPT P43490 2/20 0.37
WNT1 P04628 1/20 0.37
KDM5A P29375 1/20 0.37
PARP1 P09874 1/20 0.36
ATAD2 Q6PL18 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 7/20 0.34
HCRTR2 O43614 7/20 0.34
PIM1 P11309 1/20 0.34
ADORA2A P29274 2/20 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
SCHEMBL5770403 0.91 PIM1 (0.42) DYRK1ANAMPTWNT1KDM5AMEN1
SCHEMBL5872958 0.90 MKNK1 (0.43) KDM5AMEN1ALDH1A1HTTKMT2A
SCHEMBL5872792 0.88 TSHR (0.41) MEN1ALDH1A1HTTKMT2APIM1
SCHEMBL5873025 0.88 ALDH1A1 (0.43) NAMPTPARP1MEN1ALDH1A1HTT
SCHEMBL5873054 0.88 PIM1 (0.40) MEN1ALDH1A1HTTKMT2AHCRTR1
SCHEMBL5873145 0.88 TACR3 (0.40) DYRK1AWNT1MEN1ALDH1A1KMT2A
SCHEMBL5873165 0.87 SLC6A7 (0.41) NAMPTPARP1MEN1ALDH1A1HTT
SCHEMBL5872886 0.87 NAMPT (0.39) DYRK1ANAMPTWNT1KDM5APARP1
SCHEMBL5873094 0.86 ADORA2A (0.37) KDM5AHCRTR1HCRTR2PIM1ADORA2A
SCHEMBL5873045 0.86 ALDH1A1 (0.41) MEN1ALDH1A1HTTKMT2A

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