SCHEMBL5772822

SCHEMBL5772822

Cc1cccc2c(-c3nc(C(=O)N4CC[C@H](N(C)C)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.39
DYRK1A Q13627 2/20 0.39
ATR Q13535 3/20 0.39
PIM1 P11309 4/20 0.37
HRH3 Q9Y5N1 3/20 0.37
CCR5 P51681 1/20 0.36
KCNH2 Q12809 1/20 0.36
WNT1 P04628 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
PARP1 P09874 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
SCHEMBL5768174 1.00 KDM5A (0.39) KDM5ADYRK1AATRPIM1HRH3
SCHEMBL5873060 0.95 DYRK1A (0.40) KDM5ADYRK1AATRPIM1CCR5
SCHEMBL5873091 0.93 KDM5A (0.41) KDM5ADYRK1APIM1CCR5KCNH2
SCHEMBL5873097 0.92 KDM5A (0.39) KDM5ADYRK1APIM1CCR5KCNH2
SCHEMBL5873096 0.92 DYRK1A (0.38) KDM5ADYRK1AATRPIM1HRH3
SCHEMBL5873198 0.91 KDM5A (0.40) KDM5ADYRK1AATRPIM1HRH3
SCHEMBL5773738 0.91 ATR (0.42) KDM5AATRHRH3MAP4K4CDK4
SCHEMBL5872921 0.91 KDM5A (0.39) KDM5ADYRK1AATRPIM1HRH3
SCHEMBL5771644 0.91 ATR (0.42) KDM5AATRHRH3MAP4K4CDK4
SCHEMBL5774120 0.90 KDM5A (0.40) KDM5ADYRK1AATRPIM1HRH3

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 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

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 KDM5A 2543/4885DYRK1A 1836/4885ATR 919/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM5A 2543/4885DYRK1A 1836/4885ATR 919/4885

“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.