SCHEMBL5004592

SCHEMBL5004592

c1ncc2nc(N3CCOCC3)[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
PIM1 P11309 1/20 0.41
POLB P06746 2/20 0.39
JAK3 P52333 1/20 0.38
PIK3CA P42336 4/20 0.38
PIK3CB P42338 3/20 0.38
TSHR P16473 2/20 0.38
PIK3CD O00329 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CDC7 O00311 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
ROCK1 Q13464 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
LRRK2 Q5S007 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CSF1R P07333 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL27978846 0.77 PIK3C3 (0.46) PIK3CAPIK3CBPIK3CDIRAK4PIK3R1
SCHEMBL27978848 0.77 PIK3C3 (0.46) PIK3CAPIK3CBPIK3CDIRAK4PIK3R1
SCHEMBL30769553 0.76 TP53 (0.61) TP53POLBPIK3CAPIK3CBPIK3CD
SCHEMBL18704848 0.76 TP53 (0.50) TP53PIM1POLBPIK3CAPIK3CB
SCHEMBL3131786 0.69 CSF1R (0.37) TP53PIM1POLBPIK3CATSHR
SCHEMBL24359021 0.69 ELANE (0.46) POLBPIK3CAPIK3CBTSHRPIK3CD
SCHEMBL30450188 0.69 MEN1 (0.42) TP53POLBPIK3CAPIK3CBPIK3CD
SCHEMBL15644138 0.68 TSHR (0.42) TP53TSHRALDH1A1CDC7CCNE1
SCHEMBL15644824 0.68 TSHR (0.45) TP53PIM1PIK3CAPIK3CBTSHR
SCHEMBL24541547 0.67 AKT2 (0.51) PIM1JAK3ALDH1A1LRRK2HSD17B10

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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR 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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 TP53 658/4885PIM1 144/4885POLB 2079/4885

“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.