SCHEMBL2423305

SCHEMBL2423305

C1=Cc2nc1c(-c1cccnc1)c1ccc([nH]1)c(-c1cccnc1)c1nc(c(-c3cccnc3)c3ccc([nH]3)c2-c2cccnc2)C=C1.[Co]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.52
▸ TOP1 P11387 2/20 0.51
▸ CYP19A1 P11511 2/20 0.47
▸ CYCS P99999 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ ENPP2 Q13822 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LDHA P00338 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43

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
SCHEMBL185112 0.98 TERT (0.54) TERTTOP1CYP19A1CYCSALDH1A1
SCHEMBL29501072 0.98 TERT (0.54) TERTTOP1CYP19A1CYCSALDH1A1
SCHEMBL30385992 0.97 TERT (0.52) TERTTOP1CYP19A1CYCSALDH1A1
SCHEMBL29021355 0.97 TERT (0.52) TERTTOP1CYP19A1CYCSALDH1A1
SCHEMBL21808804 0.97 TERT (0.52) TERTTOP1CYP19A1CYCSALDH1A1
SCHEMBL14445603 0.92 TOP1 (0.62) TERTTOP1CYP19A1CYCSALDH1A1
SCHEMBL7240122 0.88 TOP1 (0.70) TERTTOP1CYP19A1CYCSENPP2
SCHEMBL7240682 0.88 TERT (0.46) TERTTOP1CYP19A1CYCSENPP2
SCHEMBL7246924 0.84 TOP1 (0.53) TERTTOP1CYP19A1CYCSALDH1A1
SCHEMBL17366430 0.82 CYP19A1 (0.41) TERTTOP1CYP19A1CYCSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 — — US disclosed
US-20110306611-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 — — US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 — — US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 — — US disclosed
EP-1524974-A4 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARM INNC (US) 2007-12-05 — — EP disclosed
EP-1742637-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2007-01-17 — — EP disclosed
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. 2006-07-20 — — US disclosed
WO-2006076009-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2006-07-20 — — WO disclosed
US-20050124678-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2005-06-09 — — US disclosed
EP-1524974-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2005-04-27 — — EP disclosed
WO-2004001058-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2003-12-31 — — WO disclosed
US-20030229065-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. 2003-12-11 — — 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 (6 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-20110306611-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB TERT 1055/4885TOP1 1534/4885CYP19A1 3714/4885
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB TERT 1055/4885TOP1 1534/4885CYP19A1 3714/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB TERT 1055/4885TOP1 1534/4885CYP19A1 3714/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB TERT 1055/4885TOP1 1534/4885CYP19A1 3714/4885
US-20030229065-A1 Transcription factor modulating compounds and methods of use thereof RELA, ATF4, JUN TERT 204/4885TOP1 1570/4885CYP19A1 2335/4885
US-20050124678-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB TERT 1055/4885TOP1 1534/4885CYP19A1 3714/4885

“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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