SCHEMBL5769155

SCHEMBL5769155

Cc1ccc(-c2sc(-c3n[nH]c4c(C)c(F)ccc34)nc2C(=O)N2CCC(N(C)C)C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.39
KDM5A P29375 1/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CDK1 P06493 2/20 0.36
CDK2 P24941 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAP4K4 O95819 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
KDM1A O60341 2/20 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
SCHEMBL5772696 1.00 ATR (0.39) ATRKDM5AJAK2JAK1TYK2
SCHEMBL5771710 0.91 KDM5A (0.39) ATRKDM5AJAK2JAK1TYK2
SCHEMBL5769944 0.91 KDM5A (0.39) ATRKDM5AJAK2JAK1TYK2
SCHEMBL5773738 0.89 ATR (0.42) ATRKDM5AJAK2HCRTR1HCRTR2
SCHEMBL5771644 0.89 ATR (0.42) ATRKDM5AJAK2HCRTR1HCRTR2
SCHEMBL5769639 0.85 ATR (0.43) ATRJAK2JAK1TYK2JAK3
SCHEMBL5774120 0.82 KDM5A (0.40) ATRKDM5AJAK2JAK1TYK2
SCHEMBL5774263 0.82 ATR (0.40) ATRHCRTR1HCRTR2MAP4K4
SCHEMBL5773750 0.81 ATR (0.41) ATRJAK2JAK1TYK2JAK3
SCHEMBL5768174 0.80 KDM5A (0.39) ATRKDM5AJAK2JAK1TYK2

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 8 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 claimed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US 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 ATR 919/4885KDM5A 2543/4885JAK2 4304/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ATR 919/4885KDM5A 2543/4885JAK2 4304/4885

“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.