SCHEMBL2078536

SCHEMBL2078536

CN(c1ccc2c(c1)CC(=O)N2)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.49
▸ GAA P10253 3/20 0.45
▸ GRIA1 P42261 2/20 0.44
▸ CACNG8 Q8WXS5 2/20 0.44
▸ PTK2 Q05397 2/20 0.44
▸ PTK2B Q14289 2/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ PKM P14618 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PGR P06401 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.40
▸ IDO1 P14902 1/20 0.40

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
SCHEMBL29859998 0.82 AHR (0.56) AHRGAAGRIA1CACNG8PDE3B
SCHEMBL26666452 0.82 AHR (0.56) AHRGAAGRIA1CACNG8PDE3B
SCHEMBL28408499 0.76 AHR (0.49) AHRGAAGRIA1CACNG8PDE3B
SCHEMBL9096698 0.75 AHR (0.51) AHRGAAGRIA1CACNG8PDE3B
SCHEMBL1556955 0.74 GAA (0.60) AHRGAAGRIA1CACNG8PDE3B
SCHEMBL689464 0.74 GAA (0.56) AHRGAAPDE3BPDE3APKM
SCHEMBL3248876 0.73 ALDH1A1 (0.62) GAAGRIA1CACNG8PKMALDH1A1
SCHEMBL6602558 0.72 GAA (0.57) AHRGAAPKMMAPTTDP1
SCHEMBL3249959 0.72 PKM (0.62) AHRGAAPTK2BPKMALDH1A1
SCHEMBL153164 0.71 PKM (0.60) AHRPKMMAPTTDP1SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 — — EP disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 — — US disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 — — EP disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 — — US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 — — US disclosed
EP-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 — — EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 — — WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 — — US disclosed
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 — — US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 — — EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 — — 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 (2 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 AHR 634/4885GAA 2593/4885GRIA1 473/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 AHR 707/4885GAA 2685/4885GRIA1 496/4885

“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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