SCHEMBL2194094

SCHEMBL2194094

Cn1ncc2c(NC3=COCO3)nc(Cl)nc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.57
KMT2A Q03164 6/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 4/20 0.52
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTR2C P28335 2/20 0.41
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HCRTR1 O43613 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
SCHEMBL2194098 0.78 PDE2A (0.57) PDE2AKMT2AGAAMEN1CYP1A2
SCHEMBL2195957 0.74 GAA (0.62) PDE2AKMT2AGAAMEN1CYP1A2
SCHEMBL29582070 0.72 GAA (0.80) PDE2AKMT2AGAAMEN1CYP1A2
SCHEMBL22806016 0.72 GAA (0.80) PDE2AKMT2AGAAMEN1CYP1A2
SCHEMBL13087256 0.71 GAA (0.78) PDE2AKMT2AGAAMEN1CYP1A2
SCHEMBL4061100 0.70 KMT2A (0.78) PDE2AKMT2AGAAMEN1CYP1A2
SCHEMBL28701490 0.70 PDE2A (0.69) PDE2AKMT2AGAAMEN1CYP1A2
SCHEMBL2241187 0.69 PDE2A (0.59) PDE2AKMT2AGAAMEN1CYP1A2
SCHEMBL2191520 0.68 PDE2A (0.58) PDE2AKMT2AGAAMEN1CYP1A2
SCHEMBL22805485 0.68 PDE2A (0.72) PDE2AKMT2AGAAMEN1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 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-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA PDE2A 2052/4885KMT2A 3692/4885GAA 1587/4885

“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.