SCHEMBL3329906

SCHEMBL3329906

Cc1cc(-c2cc(-c3ccc(C(=O)N4CCC(C(=O)O)CC4)cc3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.61
CDC7 O00311 2/20 0.61
CSNK2A2 P19784 1/20 0.61
CLK1 P49759 1/20 0.61
GSK3B P49841 1/20 0.61
CSNK2B P67870 1/20 0.61
CSNK2A1 P68400 1/20 0.61
CSNK2A3 Q8NEV1 1/20 0.61
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CXCL12 P48061 1/20 0.42
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RIPK1 Q13546 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACACB O00763 2/20 0.38

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
SCHEMBL3331845 0.92 PIM1 (0.60) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330412 0.90 PIM1 (0.60) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3325601 0.90 PIM1 (0.55) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329226 0.88 PIM1 (0.65) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3328230 0.87 PIM1 (0.64) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329917 0.87 PIM1 (0.64) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331070 0.86 PIM1 (0.62) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331328 0.86 PIM1 (0.62) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329790 0.86 PIM1 (0.55) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL27842169 0.86 CDC7 (0.55) PIM1CDC7CSNK2A2CLK1GSK3B

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-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US claimed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US claimed

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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 PIM1 1/4885CDC7 3813/4885CSNK2A2 61/4885

“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.