SCHEMBL5771721

SCHEMBL5771721

Cc1cccc2c(-c3nc(C(=O)OC4CCN(C)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.41
WNT1 P04628 2/20 0.40
PIM1 P11309 10/20 0.38
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5774068 0.95 DYRK1A (0.39) DYRK1AWNT1PIM1
SCHEMBL5775521 0.86 DYRK1A (0.55) DYRK1AWNT1PIM1KDM4EALDH1A1
SCHEMBL5795447 0.84 PIM1 (0.41) DYRK1APIM1CLK2CLK3ALDH1A1
SCHEMBL5775974 0.84 ATAD2 (0.40) DYRK1AWNT1KDM4EALDH1A1MAPT
SCHEMBL5873102 0.83 DYRK1A (0.49) DYRK1AWNT1PIM1
SCHEMBL5770580 0.82 CDC7 (0.47) KDM4EALDH1A1MAPT
SCHEMBL5747881 0.81 KDM4E (0.45) DYRK1AWNT1PIM1KDM4EALDH1A1
SCHEMBL5872880 0.80 CYP2C9 (0.43) PIM1ALDH1A1
SCHEMBL5770048 0.80 PIM1 (0.43) PIM1
SCHEMBL5769674 0.80 PIM1 (0.40) PIM1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.