SCHEMBL3601023

SCHEMBL3601023

CC(C)(C)OC(=O)N1CCN(c2cccc(-c3nc(Cl)cc(N4CCOCC4)n3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.50
ADORA2A P29274 1/20 0.47
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
USP30 Q70CQ3 1/20 0.46
GPR119 Q8TDV5 3/20 0.45
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
MTOR P42345 2/20 0.45
MAPT P10636 1/20 0.44
AKR1C3 P42330 1/20 0.43
ATR Q13535 1/20 0.42
HTT P42858 2/20 0.42
P2RY12 Q9H244 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1497394 0.82 SMN1; SMN2 (0.49) PIK3CACKS1BSKP1SKP2USP30
SCHEMBL1262989 0.82 PTPN1 (0.50) PIK3CAGPR119MTORMAPTATR
SCHEMBL12488579 0.82 GPR119 (0.53) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL18153347 0.80 PIK3CA (0.53) PIK3CACKS1BSKP1SKP2MTOR
SCHEMBL29434915 0.80 PIK3CA (0.53) PIK3CACKS1BSKP1SKP2MTOR
SCHEMBL3997637 0.80 PIK3CA (0.53) PIK3CACKS1BSKP1SKP2MTOR
SCHEMBL26967677 0.79 MAPT (0.55) PIK3CAGPR119JAK2JAK3MAPT
SCHEMBL24851269 0.78 USP2 (0.54) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL3592524 0.78 PIK3CD (0.49) PIK3CAGPR119MTORATRSMN1; SMN2
SCHEMBL3605038 0.78 USP2 (0.48) PIK3CACKS1BSKP1SKP2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO 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 (1 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 PIK3CA 1/4885ADORA2A 509/4885CKS1B 226/4885

“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.