SCHEMBL2269314

SCHEMBL2269314

CC(C)(c1ccc2nc(Cl)nc(N3CCOCC3)c2n1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.37
NT5E P21589 2/20 0.37
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
PIK3CD O00329 5/20 0.35
MTOR P42345 3/20 0.35
PIK3CA P42336 7/20 0.35
PIK3CG P48736 4/20 0.34
KIF18A Q8NI77 1/20 0.33
PIK3R1 P27986 1/20 0.33

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
SCHEMBL14342885 0.77 NT5E (0.42) SMN1; SMN2HDAC1NT5ENPSR1POLB
SCHEMBL2531939 0.76 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1KDM4EALDH1A1MAPT
SCHEMBL16166910 0.75 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1MAPTPOLB
SCHEMBL2270379 0.74 PIK3CA (0.54) SMN1; SMN2NPSR1KDM4EALDH1A1MAPT
SCHEMBL2274542 0.74 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1KDM4EPOLBPIK3CD
SCHEMBL2275660 0.72 PIK3CD (0.53) SMN1; SMN2KDM4EALDH1A1POLBPIK3CD
SCHEMBL12370236 0.72 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1MAPTPOLB
SCHEMBL2271401 0.72 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EALDH1A1MAPTPOLB
SCHEMBL12370256 0.72 SMN1; SMN2 (0.46) SMN1; SMN2HDAC1NT5EKDM4EALDH1A1
SCHEMBL2272803 0.72 PIK3CD (0.40) SMN1; SMN2HDAC1NPSR1PIK3CDMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011101429-A1 PYRIDO[3,2-D]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 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-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 3309/4885HDAC1 2906/4885NT5E 1810/4885

“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.