SCHEMBL6312236

SCHEMBL6312236

Nc1ncc(-c2cccc(-c3cnco3)c2)c(Nc2cnc3ccccc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
PIK3CA P42336 5/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
IMPDH2 P12268 2/20 0.38
TNF P01375 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SYK P43405 2/20 0.37
MAP3K7 O43318 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
GRM4 Q14833 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HDAC4 P56524 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
BRAF P15056 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
SCHEMBL6319566 0.88 MAP4K4 (0.44) MAP4K4PIK3CACYP11B1CYP11B2IMPDH2
SCHEMBL6317900 0.84 IMPDH2 (0.52) IMPDH2
SCHEMBL6315288 0.80 PDGFRB (0.49) PIK3CATNFGRM4NPSR1ADORA2A
SCHEMBL6318862 0.80 DHFR (0.56) PIK3CATNFGRM4NPSR1ADORA2A
SCHEMBL6313300 0.78 ABCG2 (0.46) PIK3CATNFSYKGRM4NPSR1
SCHEMBL6312017 0.78 CA2 (0.46) PIK3CATNFMEN1KMT2A
SCHEMBL6321220 0.77 ABCG2 (0.48) MEN1KMT2A
SCHEMBL6318945 0.76 TNF (0.44) PIK3CATNFMEN1KMT2AGRM4
SCHEMBL6312244 0.76 CYP1A2 (0.52) PIK3CATNFMEN1KMT2AADORA2A
SCHEMBL4492804 0.75 MAP4K4 (0.57) MAP4K4CYP11B1CYP11B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT MAP4K4 3243/4885PIK3CA 423/4885CYP11B1 511/4885

“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.