SCHEMBL5769265

SCHEMBL5769265

COc1cccc(-c2sc(-c3n[nH]c4c(C)cccc34)nc2C(=O)N2CCC(N(C)C)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
HCRTR1 O43613 15/20 0.43
HCRTR2 O43614 15/20 0.43
KDM5A P29375 1/20 0.43
MCHR1 Q99705 1/20 0.41
ATR Q13535 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL5769639 0.88 ATR (0.43) JAK2JAK1TYK2JAK3HCRTR1
SCHEMBL5811219 0.88 ATR (0.40) JAK2JAK1TYK2JAK3HCRTR1
SCHEMBL5768174 0.87 KDM5A (0.39) JAK2JAK1TYK2JAK3KDM5A
SCHEMBL5772822 0.87 KDM5A (0.39) JAK2JAK1TYK2JAK3KDM5A
SCHEMBL5771644 0.85 ATR (0.42) JAK2HCRTR1HCRTR2KDM5AMCHR1
SCHEMBL5773738 0.85 ATR (0.42) JAK2HCRTR1HCRTR2KDM5AMCHR1
SCHEMBL5773750 0.84 ATR (0.41) JAK2JAK1TYK2JAK3MCHR1
SCHEMBL5774263 0.83 ATR (0.40) HCRTR1HCRTR2MCHR1ATR
SCHEMBL5873060 0.82 DYRK1A (0.40) HCRTR1HCRTR2KDM5AATR
SCHEMBL5873091 0.80 KDM5A (0.41) KDM5A

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 JAK2 4304/4885JAK1 4092/4885TYK2 1897/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B JAK2 4304/4885JAK1 4092/4885TYK2 1897/4885

“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.