SCHEMBL5773738

SCHEMBL5773738

Cc1ccc(-c2sc(-c3n[nH]c4c(C)cccc34)nc2C(=O)N2CCC(N(C)C)C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.42
KDM5A P29375 1/20 0.39
MAP4K4 O95819 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
JAK2 O60674 1/20 0.36
MCHR1 Q99705 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 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
SCHEMBL5771644 1.00 ATR (0.42) ATRKDM5AMAP4K4HRH3HCRTR1
SCHEMBL5773750 0.92 ATR (0.41) ATRMAP4K4HRH3JAK2MCHR1
SCHEMBL5774263 0.91 ATR (0.40) ATRMAP4K4HCRTR1HCRTR2MCHR1
SCHEMBL5772822 0.91 KDM5A (0.39) ATRKDM5AMAP4K4HRH3JAK2
SCHEMBL5768174 0.91 KDM5A (0.39) ATRKDM5AMAP4K4HRH3JAK2
SCHEMBL5769639 0.90 ATR (0.43) ATRMAP4K4HCRTR1HCRTR2JAK2
SCHEMBL5811219 0.90 ATR (0.40) ATRMAP4K4HRH3HCRTR1HCRTR2
SCHEMBL5769155 0.89 ATR (0.39) ATRKDM5AMAP4K4HRH3HCRTR1
SCHEMBL5772696 0.89 ATR (0.39) ATRKDM5AMAP4K4HRH3HCRTR1
SCHEMBL5873060 0.86 DYRK1A (0.40) ATRKDM5AHCRTR1HCRTR2CDK4

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 2543/4885MAP4K4 2320/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ATR 919/4885KDM5A 2543/4885MAP4K4 2320/4885

“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.