SCHEMBL962893

SCHEMBL962893

O=C(CCN1CCOCC1)Nc1cc[c]cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
CYP2C19 P33261 1/20 0.74
ATM Q13315 1/20 0.71
CA1 P00915 3/20 0.64
CA2 P00918 3/20 0.64
CA9 Q16790 3/20 0.64
RAB9A P51151 1/20 0.63
TSHR P16473 1/20 0.61
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
HTT P42858 1/20 0.60
POLB P06746 2/20 0.56
TERT O14746 2/20 0.56
IDO1 P14902 1/20 0.55
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL1355051 0.87 ALDH1A1 (0.70) LMNAATMTSHRALOX15POLB
SCHEMBL5522488 0.85 LMNA (0.73) LMNAATMCA1CA2CA9
SCHEMBL6278367 0.85 ALDH1A1 (0.73) LMNAATMTSHRALOX15POLB
SCHEMBL13118343 0.85 LMNA (1.00) LMNACYP2C19ATMCA1CA2
SCHEMBL1356631 0.84 TP53 (0.70) LMNACA1CA2CA9HTT
SCHEMBL965567 0.84 LMNA (0.71) LMNACYP2C19ATMCA1CA2
SCHEMBL15437067 0.83 ATM (0.75) LMNACYP2C19ATMCA1CA2
SCHEMBL4749808 0.83 ATM (0.75) LMNACYP2C19ATMCA1CA2
SCHEMBL2180527 0.83 LMNA (0.54) LMNACYP2C19ATMHTTPOLB
SCHEMBL13102349 0.83 ATM (0.75) LMNACYP2C19ATMCA1CA2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US claimed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US disclosed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US disclosed
EP-2152080-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF The Regents of the University of Michigan (US) 2010-02-17 EP disclosed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 US disclosed
EP-0836613-B1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2005-05-25 EP disclosed
US-5795977-A Water soluble adenosine kinase inhibitors METABASIS THERAPEUTICS, INC. (US) 1998-08-18 US disclosed
EP-0836613-A1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-22 EP disclosed
US-5726302-A SUBSTITUTED 4-AMINO PYRROLO(2,3-D) PYRIMIDINE AND PYRAZOLO(3,4-D) PYRIMIDINE NUCLEOSIDE ANALOGS GENSIA INC. (US) 1998-03-10 US disclosed
WO-1996040707-A1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 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 (5 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-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 LMNA 3556/4885CYP2C19 1569/4885ATM 3944/4885
US-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 LMNA 1636/4885CYP2C19 3506/4885ATM 404/4885
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof GABRA4, BAD, GABRA1 LMNA 3556/4885CYP2C19 1569/4885ATM 3944/4885
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 LMNA 3556/4885CYP2C19 1569/4885ATM 3944/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 LMNA 1636/4885CYP2C19 3506/4885ATM 404/4885

“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.