SCHEMBL4937769

SCHEMBL4937769

O=C(Nc1ccc(F)c(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)c1)C1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.45
PIK3CA P42336 5/20 0.45
PIK3CG P48736 2/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
RAF1 P04049 5/20 0.42
SHMT2 P34897 2/20 0.42
GBA1 P04062 2/20 0.41
GLA P06280 1/20 0.41
F10 P00742 1/20 0.40
BRAF P15056 4/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL4932069 0.91 PIK3CA (0.48) MTORPIK3CAPIK3CGJAK2JAK3
SCHEMBL4937545 0.90 JAK2 (0.51) MTORPIK3CAPIK3CGJAK2JAK3
SCHEMBL4930763 0.90 PIK3CA (0.48) MTORPIK3CAPIK3CGJAK2JAK3
SCHEMBL4940879 0.88 PIK3CA (0.45) MTORPIK3CAPIK3CGJAK2JAK3
SCHEMBL4936100 0.84 MTOR (0.48) MTORPIK3CAPIK3CGRAF1BRAF
SCHEMBL30599038 0.84 MTOR (0.48) MTORPIK3CAPIK3CGRAF1BRAF
SCHEMBL5182755 0.83 PIK3CA (0.45) MTORPIK3CAPIK3CGJAK2JAK3
SCHEMBL4603008 0.81 PIK3CA (0.53) MTORPIK3CAPIK3CGGBA1GLA
SCHEMBL4938514 0.81 PIK3CA (0.53) MTORPIK3CAPIK3CGGBA1GLA
SCHEMBL4936958 0.80 PIK3CA (0.54) MTORPIK3CAPIK3CGJAK2JAK3

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-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PASS MARTIN 2008-02-28 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-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB MTOR 288/4885PIK3CA 1/4885PIK3CG 5/4885

“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.