SCHEMBL5770848

SCHEMBL5770848

Cc1cc(C)c2[nH]nc(-c3nc(C(=O)CC4CCN(C)CC4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.41
WNT1 P04628 2/20 0.39
PIM1 P11309 8/20 0.37
GSK3B P49841 3/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
MAP2K4 P45985 1/20 0.35
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL5872934 0.86 DYRK1A (0.55) DYRK1AWNT1PIM1GSK3BADORA1
SCHEMBL5769525 0.85 PIM1 (0.41) DYRK1AWNT1PIM1MAP2K4ALDH1A1
SCHEMBL5872781 0.85 DYRK1A (0.50) DYRK1AWNT1PIM1
SCHEMBL5775804 0.82 PIM1 (0.38) DYRK1AWNT1PIM1MAP2K4
SCHEMBL5767627 0.82 MAP2K4 (0.43) DYRK1AWNT1PIM1MAP2K4KDM4E
SCHEMBL5873067 0.80 MKNK1 (0.43) PIM1MAP2K4KDM4EALDH1A1
SCHEMBL5872806 0.80 DYRK1A (0.41) DYRK1AWNT1PIM1GSK3BMAP2K4
SCHEMBL5873064 0.79 WNT1 (0.38) DYRK1AWNT1PIM1MAP2K4KDM4E
SCHEMBL5872868 0.79 CYP2C9 (0.40) PIM1ALDH1A1
SCHEMBL5872947 0.79 HCRTR1 (0.43)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP claimed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US claimed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US claimed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO claimed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 US claimed
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
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
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO 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.