SCHEMBL5872934

SCHEMBL5872934

Cc1cc(C)c2[nH]nc(-c3nc(C(=O)N(C)C4CCN(C)CC4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.55
WNT1 P04628 3/20 0.39
PIM1 P11309 6/20 0.37
GSK3B P49841 3/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAP2K4 P45985 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 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
SCHEMBL5872781 0.95 DYRK1A (0.50) DYRK1AWNT1PIM1
SCHEMBL5775521 0.91 DYRK1A (0.55) DYRK1AWNT1PIM1GSK3BADORA2A
SCHEMBL5872806 0.86 DYRK1A (0.41) DYRK1AWNT1PIM1GSK3BMAP2K4
SCHEMBL5873102 0.86 DYRK1A (0.49) DYRK1AWNT1PIM1
SCHEMBL5770848 0.86 DYRK1A (0.41) DYRK1AWNT1PIM1GSK3BADORA1
SCHEMBL5769525 0.85 PIM1 (0.41) DYRK1AWNT1PIM1TLR8TLR7
SCHEMBL5873198 0.85 KDM5A (0.40) DYRK1AWNT1PIM1
SCHEMBL5873012 0.82 KDM5A (0.41) DYRK1APIM1ADORA2A
SCHEMBL5872896 0.82 HRH3 (0.39) DYRK1APIM1
SCHEMBL5873087 0.82 KDM5A (0.39) DYRK1APIM1

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 1836/4885WNT1 3712/4885PIM1 1909/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B DYRK1A 1836/4885WNT1 3712/4885PIM1 1909/4885

“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.