SCHEMBL2194091

SCHEMBL2194091

Cn1ncc2c(N(c3ccco3)c3ccco3)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 13/20 0.45
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL13828287 0.74 PDE2A (0.57) PDE2AKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2191629 0.68 PDE2A (0.49) PDE2AKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL55774 0.67 PDE2A (0.64) PDE2AKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL24393156 0.66 PDE2A (0.62) PDE2AKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL30095667 0.65 PDE2A (0.60) PDE2AKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL130521 0.65 PDE2A (0.60) PDE2AKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL29685062 0.65 PDE2A (0.60) PDE2AKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2195963 0.64 PDE2A (0.46) PDE2AKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL29931542 0.63 KMT2A (0.49) PDE2AKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4061100 0.63 KMT2A (0.78) PDE2AKMT2ACYP1A2CYP3A4CYP2C19

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 3692/4885CYP1A2 739/4885

“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.