SCHEMBL3607291

SCHEMBL3607291

CN(Cc1cccnc1)Cc1cc(N2CCOCC2)nc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CA P42336 4/20 0.43
NAPEPLD Q6IQ20 1/20 0.43
RAD52 P43351 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CXCR4 P61073 1/20 0.41
PDK1 Q15118 1/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
LMNA P02545 2/20 0.41
CDK2 P24941 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3613154 0.89 PIK3CB (0.46) PIK3CDPIK3CBPIK3CANAPEPLDKDM4E
SCHEMBL3595795 0.85 CHRNB2 (0.44) CHRNB2CHRNA4PIK3CDPIK3CBPIK3CA
SCHEMBL3588014 0.82 PIK3CA (0.51) PIK3CDPIK3CBPIK3CARAD52KDM4E
SCHEMBL3591243 0.79 KMT2A (0.46) PIK3CDPIK3CBKDM4EALDH1A1LMNA
SCHEMBL3596477 0.78 ATR (0.61) PIK3CDPIK3CBPIK3CA
SCHEMBL1181983 0.78 PIK3CA (0.49) PIK3CDPIK3CBPIK3CA
SCHEMBL3596951 0.77 ATR (0.53) PIK3CDPIK3CBPIK3CA
SCHEMBL3591065 0.77 PIK3CD (0.47) PIK3CDPIK3CBPIK3CA
SCHEMBL13141323 0.77 ATR (0.49) PIK3CDPIK3CBPIK3CA
SCHEMBL3554877 0.76 PIK3CB (0.57) PIK3CDPIK3CBPIK3CARAD52CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CHRNB2 4672/4885CHRNA4 4518/4885PIK3CD 2/4885

“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.