SCHEMBL3987772

SCHEMBL3987772

CCn1ncc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.50
ABL1 P00519 4/20 0.50
PKM P14618 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MTOR P42345 4/20 0.44
PIK3CA P42336 3/20 0.44
HRH3 Q9Y5N1 3/20 0.42
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.39
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

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
SCHEMBL3989353 0.84 MTOR (0.55) SRCABL1PKMHTTSMN1; SMN2
SCHEMBL3992479 0.83 SIGMAR1 (0.56) SRCABL1PKMHTTGAA
SCHEMBL12264967 0.82 KMT2A (0.62) SRCABL1PKMHTTSMN1; SMN2
SCHEMBL31106974 0.81 PIK3CA (0.42) MTORPIK3CA
SCHEMBL24955619 0.81 PIK3CA (0.42) MTORPIK3CA
SCHEMBL16058862 0.79 SMN1; SMN2 (0.47) SRCABL1PKMHTTSMN1; SMN2
SCHEMBL55050 0.79 MTOR (0.56) MTORPIK3CA
SCHEMBL55718 0.76 PIK3CA (0.44) MTORPIK3CACNR2
SCHEMBL24955563 0.75 PIK3CA (0.51) MTORPIK3CAHRH3
SCHEMBL3427707 0.75 PIK3CA (0.50) GAAMTORPIK3CACNR2ALDH1A1

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
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
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 SRC 398/4885ABL1 379/4885PKM 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.