SCHEMBL1608745

SCHEMBL1608745

CC1COCCN1c1nc(Cl)nc2ncn(C)c12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.53
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
ATR Q13535 3/20 0.43
CHEK1 O14757 2/20 0.43
ATM Q13315 1/20 0.41

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
SCHEMBL1609664 1.00 MTOR (0.53) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL1608742 1.00 MTOR (0.53) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL1608473 0.86 MTOR (0.56) MTORPIK3CDPIK3CAATR
SCHEMBL1608475 0.86 MTOR (0.56) MTORPIK3CDPIK3CAATR
SCHEMBL1608931 0.85 MTOR (0.57) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL1608927 0.85 MTOR (0.57) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL1611445 0.81 MTOR (0.53) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL1611443 0.81 MTOR (0.53) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL2673181 0.81 MTOR (0.53) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL31339147 0.79 MTOR (0.48) MTORPIK3CDPIK3CACHEK1

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
EP-2499143-B1 N7-SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-03-16 EP disclosed
US-8828990-B2 N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use GENENTECH, INC. (US) 2014-09-09 US disclosed
EP-2499143-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011058025-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 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 (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-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX7, P2RY1, PNP MTOR 3024/4885PIK3CD 2269/4885PIK3CA 889/4885

“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.