SCHEMBL1029698

SCHEMBL1029698

Fc1cc(-c2cc(N3CCOCC3)nc(NCc3cccnc3)n2)c2cc[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.60
RAD52 P43351 1/20 0.46
ATR Q13535 3/20 0.45
PIK3CB P42338 2/20 0.44
PIK3CD O00329 1/20 0.44
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL1028146 0.93 PIK3CA (0.71) PIK3CARAD52ATRPIK3CB
SCHEMBL13119567 0.89 PIK3CA (0.49) PIK3CAATRPIK3CBPIK3CD
SCHEMBL1026724 0.87 PIK3CA (0.50) PIK3CAATRPIK3CD
SCHEMBL1025702 0.85 PIK3CA (0.49) PIK3CAATR
SCHEMBL1027000 0.84 PIK3CA (0.53) PIK3CAATR
SCHEMBL3600404 0.84 PIK3CA (0.47) PIK3CAATR
SCHEMBL1028070 0.83 PIK3CA (0.48) PIK3CAATRPIK3CB
SCHEMBL1025207 0.83 ATR (0.47) PIK3CAATR
SCHEMBL1026861 0.83 PIK3CA (0.69) PIK3CARAD52PIK3CB
SCHEMBL1026930 0.83 PIK3CA (0.53) PIK3CAATRPIK3CBTSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 EP claimed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US claimed
EP-2150546-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. Hoffmann-Roche AG (CH) 2010-02-10 EP claimed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 WO claimed
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE 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-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIK3CA, PIP5K1B, PIK3CD PIK3CA 1/4885RAD52 3010/4885ATR 453/4885

“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.