SCHEMBL2493039

SCHEMBL2493039

COCCNS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.70
LMNA P02545 3/20 0.70
HPGD P15428 2/20 0.70
KDM4E B2RXH2 2/20 0.70
NPC1 O15118 1/20 0.70
MAPT P10636 1/20 0.70
RAB9A P51151 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HTT P42858 3/20 0.62
ALOX15 P16050 1/20 0.62
MAPK1 P28482 1/20 0.57
PKM P14618 4/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.50

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
SCHEMBL28001097 0.91 ALDH1A1 (0.58) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL6290753 0.90 MAPK1 (0.71) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL8749823 0.83 ALDH1A1 (0.57) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL6567085 0.82 MAPK1 (0.81) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL12302132 0.81 ALDH1A1 (0.90) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL7014515 0.80 CA12 (0.62) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL24762147 0.79 ALDH1A1 (0.75) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL386724 0.79 ALDH1A1 (0.75) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL29967391 0.79 ALDH1A1 (0.75) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL3126117 0.79 ALDH1A1 (0.75) ALDH1A1LMNAHPGDKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150519-B2 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2015-10-06 US disclosed
EP-2183224-B1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2013-11-06 EP disclosed
US-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) NAGOYA CITY UNIVERSITY (JP) 2013-08-08 US disclosed
US-20130109669-A1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2013-05-02 US disclosed
US-8399448-B2 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2013-03-19 US disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
US-20100210619-A1 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis MERCK SERONO SA (CH) 2010-08-19 US disclosed
EP-2183224-A1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS Merck Serono S.A. (CH) 2010-05-12 EP disclosed
WO-2009019167-A1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2009-02-12 WO disclosed
US-6855719-B1 Imidazo[1,2-A]pyridine and pyrazolo[2,3-A]pyridine derivatives ASTRAZENECA AB (SE) 2005-02-15 US disclosed
CN-1174981-C Imidazo [1, 2-A ] pyridine and pyrazolo [2, 3-A ] pyridine derivatives 2004-11-10 CN disclosed
EP-1214318-B1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-08 EP disclosed
CN-1370163-A Imidazo [1,2-A] pyridine and pyrazolo [2,3-a] pyridine derivatives ASTRAZENECA AB (SE) 2002-09-18 CN disclosed
EP-1214318-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001014375-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-01 WO disclosed
US-5663386-A REACTION WITH AQUEOUS ALKALINE SOLUTION PRODUCES COLOR WHICH PASSES INTO AQUEOUS PHASE BASF AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
EP-0689575-B1 ANTHRAQUINONES AS MARKING AGENTS FOR MINERAL OILS BASF AG (DE) 1997-02-05 EP disclosed
EP-0689575-A1 ANTHRAQUINONES AS MARKING AGENTS FOR MINERAL OILS BASF AG (DE) 1996-01-03 EP disclosed
WO-1994021752-A1 ANTHRAQUINONES AS MARKING AGENTS FOR MINERAL OILS BASF AKTIENGESELLSCHAFT (DE) 1994-09-29 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 (4 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-20100210619-A1 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis S1PR1, S1PR5, S1PR3 ALDH1A1 3621/4885LMNA 3040/4885HPGD 3520/4885
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF ALDH1A1 948/4885LMNA 1993/4885HPGD 1183/4885
US-20130109669-A1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS S1PR1, S1PR5, S1PR3 ALDH1A1 3427/4885LMNA 3097/4885HPGD 3852/4885
US-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) RCOR1, MSI2, RCOR3 ALDH1A1 2604/4885LMNA 3165/4885HPGD 3352/4885

“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.