SCHEMBL5873213

SCHEMBL5873213

Cc1cc(C)c2[nH]nc(-c3nc(C(=O)NC4CC(C)(C)N(C)C(C)(C)C4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.40
WNT1 P04628 16/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5873058 0.86 DYRK1A (0.52) DYRK1AWNT1
SCHEMBL6505794 0.84 DYRK1A (0.56) DYRK1AWNT1
SCHEMBL5873064 0.81 WNT1 (0.38) DYRK1AWNT1KDM4EALDH1A1MAPT
SCHEMBL5767627 0.80 MAP2K4 (0.43) DYRK1AWNT1KDM4EALDH1A1
SCHEMBL5769525 0.79 PIM1 (0.41) DYRK1AWNT1ALDH1A1
SCHEMBL5873067 0.77 MKNK1 (0.43) KDM4EALDH1A1
SCHEMBL5770848 0.77 DYRK1A (0.41) DYRK1AWNT1KDM4EALDH1A1
SCHEMBL5872934 0.77 DYRK1A (0.55) DYRK1AWNT1
SCHEMBL5872886 0.77 NAMPT (0.39) DYRK1AWNT1KDM4EALDH1A1MAPT
SCHEMBL5775804 0.76 PIM1 (0.38) DYRK1AWNT1

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 2 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-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 (1 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 3712/4885KDM4E 2869/4885

“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.