SCHEMBL3029402

SCHEMBL3029402

CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR3 Q99500 3/20 0.77
S1PR5 Q9H228 1/20 0.77

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
SCHEMBL2772415 0.87 S1PR1 (1.00) S1PR1S1PR3S1PR5
SCHEMBL13216739 0.87 S1PR1 (0.77) S1PR1S1PR3S1PR5
SCHEMBL3025879 0.84 S1PR1 (1.00) S1PR1S1PR3S1PR5
SCHEMBL3030036 0.83 S1PR1 (1.00) S1PR1S1PR3S1PR5
SCHEMBL15372606 0.80 S1PR1 (0.76) S1PR1
SCHEMBL13216768 0.80 S1PR1 (0.88) S1PR1
SCHEMBL2771687 0.79 S1PR1 (1.00) S1PR1
SCHEMBL3034615 0.79 S1PR1 (1.00) S1PR1S1PR3S1PR5
SCHEMBL3036436 0.78 S1PR1 (1.00) S1PR1S1PR3S1PR5
SCHEMBL13215688 0.78 S1PR1 (0.84) S1PR1

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 15 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
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
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
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-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-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-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
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
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
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
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
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
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

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-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 S1PR1 1/4885S1PR3 3/4885S1PR5 2/4885
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 S1PR1 1/4885S1PR3 3/4885S1PR5 2/4885

“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.