SCHEMBL2385663

SCHEMBL2385663

Cc1ccc2[nH]c3c(cc(-c4cccc(C(=O)N5CCOCC5)c4)c(=O)n3C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.46
▸ TAF1 P21675 1/20 0.46
▸ CECR2 Q9BXF3 1/20 0.46
▸ BRD9 Q9H8M2 1/20 0.46
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ JAK2 O60674 5/20 0.45
▸ BTK Q06187 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ PIK3CD O00329 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2383697 0.83 KDM4E (0.46) CECR2HPGDJAK2MEN1RAB9A
SCHEMBL2382889 0.83 KIF11 (0.45) BRD4CECR2HPGDMEN1RAB9A
SCHEMBL2385260 0.81 ASH1L (0.41) HPGDMEN1RAB9AKMT2AALDH1A1
SCHEMBL3867849 0.77 KDM4E (0.50) HPGDMEN1RAB9AKMT2AALDH1A1
SCHEMBL2385245 0.76 MAOB (0.41) HPGDMEN1RAB9AKMT2AALDH1A1
SCHEMBL2381235 0.76 MAP2K4 (0.52) HPGDMEN1RAB9AKMT2AALDH1A1
SCHEMBL2385299 0.74 KDM4E (0.38) BRD4HPGDMEN1RAB9AKMT2A
SCHEMBL2384517 0.74 BRD4 (0.46) BRD4HPGDMEN1RAB9AKMT2A
SCHEMBL2383348 0.74 KIF11 (0.49) HPGDRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2384495 0.73 PADI4 (0.37) HPGDMEN1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012991-B2 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxo-2,9-dihydro-1H-pyrido[2,3-b]indole-6-carboxylic acid; gamma-aminobutyric acid modulator; anticarcinogenic, antitumor, antiproliferative agent; amidating a 2-aminoindole with an alpha-substituted-beta-hydroxy-alkyl acrylate SANOFI-AVENTIS (FR) 2011-09-06 — — US disclosed
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics SANOFI-AVENTIS (FR) 2008-09-04 — — US disclosed
US-7390818-B2 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-06-24 — — US disclosed
EP-1556382-B1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-28 — — EP disclosed
US-20050288318-A1 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2005-12-29 — — US disclosed
EP-1556382-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-07-27 — — EP disclosed
WO-2004041817-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-05-21 — — 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-20050288318-A1 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics PNPO, PDXK, PLPBP BRD4 1979/4885TAF1 4523/4885CECR2 3451/4885
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics PNPO, PLPBP, DPYD BRD4 3180/4885TAF1 4215/4885CECR2 3760/4885

“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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