SCHEMBL4421609

SCHEMBL4421609

Nc1ccc(-c2ccc3nc(N)nc(OC4CCOC4)c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.38
PIK3CA P42336 2/20 0.38
AKT1 P31749 1/20 0.38
DHFR P00374 1/20 0.36
LRRK2 Q5S007 2/20 0.35
FFAR2 O15552 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DCPS Q96C86 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAP4K4 O95819 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL3605007 0.91 HDAC1 (0.39) MTORPIK3CAAKT1DHFRLRRK2
SCHEMBL13500401 0.91 HDAC1 (0.39) MTORPIK3CAAKT1DHFRLRRK2
SCHEMBL3609814 0.91 HDAC1 (0.39) MTORPIK3CAAKT1DHFRLRRK2
SCHEMBL4421606 0.87 CHEK2 (0.40) MTORMAPK8MAPK9MAP4K4GRM4
SCHEMBL4423840 0.85 ALOX5AP (0.38) MTORPIK3CAAKT1LRRK2CNR1
SCHEMBL3612774 0.84 HDAC1 (0.43) PIK3CADHFRDCPSMAP4K4
SCHEMBL826270 0.83 SYK (0.36) MTORPIK3CAAKT1ALDH1A1HPGD
SCHEMBL823742 0.83 SYK (0.36) MTORPIK3CAAKT1ALDH1A1HPGD
SCHEMBL826038 0.82 MOK (0.39) MTORPIK3CALRRK2MAPK8MAPK9
SCHEMBL823789 0.82 GRM4 (0.38) MTORPIK3CALRRK2MAPK8MAPK9

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
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP MTOR 4090/4885PIK3CA 1189/4885AKT1 4755/4885

“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.