SCHEMBL3331554

SCHEMBL3331554

Cc1cc(-c2cc(-c3ccc(N)cc3C)[nH]c(=O)c2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.50
▸ TNKS2 Q9H2K2 1/20 0.41
▸ PIM1 P11309 2/20 0.40
▸ CDC7 O00311 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ CSNK2A3 Q8NEV1 1/20 0.39
▸ PIK3C3 Q8NEB9 2/20 0.38
▸ HSD17B1 P14061 4/20 0.37
▸ HSD17B2 P37059 4/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CHEK1 O14757 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
SCHEMBL3334808 0.80 PIM1 (0.65) PDE10APIM1CDC7CSNK2A2CLK1
SCHEMBL14648734 0.79 PIM1 (0.46) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329851 0.78 PIM1 (0.65) TNKS2PIM1CDC7CSNK2A2CLK1
SCHEMBL14648729 0.76 PIM1 (0.46) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329768 0.72 BRD4 (0.38) PIM1CSNK2A2CSNK2B
SCHEMBL33808 0.71 — —
SCHEMBL14648728 0.71 APP (0.42) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL6011711 0.70 PDE10A (0.62) PDE10AHSD17B1HSD17B2ESR2TSHR
Bromide SCHEMBL4051270 0.69 PDE10A (0.95) PDE10AESR2TSHRCASP1
Hydrochloric Acid SCHEMBL27589678 0.69 PDE10A (0.95) PDE10AESR2TSHRCASP1

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 8 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 disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 — — US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 — — US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 — — EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 — — WO 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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 PDE10A 1092/4885TNKS2 1162/4885PIM1 1/4885

“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.

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