SCHEMBL1438433

SCHEMBL1438433

O=C(O)C1CC(O)CN(Cc2ccccc2)C1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 13/20 0.72
S1PR1 P21453 10/20 0.72
FUCA1 P04066 2/20 0.54
ALDH1A1 P00352 1/20 0.53
S1PR3 Q99500 2/20 0.52
S1PR4 O95977 1/20 0.52
GRK5 P34947 1/20 0.52
CDK8 P49336 1/20 0.52

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
SCHEMBL30500506 1.00 S1PR5 (0.72) S1PR5S1PR1FUCA1ALDH1A1S1PR3
SCHEMBL51920 0.90 S1PR5 (0.81) S1PR5S1PR1FUCA1S1PR3S1PR4
SCHEMBL565212 0.87 S1PR5 (0.87) S1PR5S1PR1FUCA1S1PR3S1PR4
SCHEMBL5785691 0.85 FUCA1 (0.67) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL12719208 0.85 FUCA1 (0.67) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL1873859 0.85 FUCA1 (0.67) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL1439237 0.84 S1PR5 (0.52) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL29067901 0.84 S1PR5 (0.52) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL3027737 0.84 S1PR5 (1.00) S1PR5S1PR1S1PR3S1PR4GRK5
SCHEMBL1439660 0.83 S1PR5 (0.70) S1PR5S1PR1FUCA1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101064-A1 N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
EP-2473502-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2012-07-11 EP disclosed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
EP-2473505-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 US disclosed
CN-102498107-A Heteroaryl compounds as kinase inhibitors NOVARTIS AG 2012-06-13 CN disclosed
CN-102482265-A Pyrazinylpyridines useful for the treatment of proliferative diseases NOVARTIS AG 2012-05-30 CN disclosed
CN-102471310-A Bipyridines useful for the treatment of proliferative diseases NOVARTIS AG 2012-05-23 CN disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 WO disclosed
WO-2011026904-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 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 (3 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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 S1PR5 2753/4885S1PR1 2605/4885FUCA1 2213/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 S1PR5 3175/4885S1PR1 3068/4885FUCA1 1992/4885
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI S1PR5 1610/4885S1PR1 1575/4885FUCA1 2733/4885

“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.