SCHEMBL3989353

SCHEMBL3989353

FC(F)(F)Cn1ncc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.55
PIK3CA P42336 5/20 0.55
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
SRC P12931 6/20 0.45
ABL1 P00519 4/20 0.45
CNR2 P34972 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PIK3CD O00329 1/20 0.38

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
SCHEMBL3987772 0.84 SRC (0.50) MTORPIK3CAPKMHTTSRC
SCHEMBL25080287 0.81 ATR (0.43) MTORPIK3CA
SCHEMBL3986621 0.80 PIK3CA (0.52) MTORPIK3CA
SCHEMBL3992479 0.80 SIGMAR1 (0.56) PKMHTTSRCABL1GAA
SCHEMBL3986221 0.79 MTOR (0.68) MTORPIK3CAHDAC3HDAC1HDAC2
SCHEMBL3128498 0.78 HRH3 (0.57) MTORPIK3CASRCSMN1; SMN2HRH3
SCHEMBL12264967 0.77 KMT2A (0.62) PIK3CAPKMHTTSRCABL1
SCHEMBL3428738 0.77 ALDH1A1 (0.45) MTORPIK3CAHTTCNR2GAA
SCHEMBL3984073 0.76 PIK3CA (0.62) MTORPIK3CAHDAC1PIK3CD
SCHEMBL23579830 0.76 HSP90AA1 (0.40) MTORPIK3CACNR2

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-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 MTOR 1/4885PIK3CA 2/4885PKM 355/4885

“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.