Sugi Predict

Sugi Predict / Compounds / SCHEMBL3400767

SCHEMBL3400767

SCHEMBL3400767

CN1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.60
▸ HPGD P15428 4/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ NAMPT P43490 2/20 0.55
▸ ABL1 P00519 1/20 0.53
▸ RIN1 Q13671 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ LMNA P02545 1/20 0.50
▸ CD274 Q9NZQ7 1/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP17A1 P05093 1/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48

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
SCHEMBL31396747 0.89 ABL1 (0.65) EPHX2HPGDNAMPTABL1RIN1
SCHEMBL22895527 0.89 ABL1 (0.65) EPHX2HPGDNAMPTABL1RIN1
SCHEMBL1284776 0.85 HPGD (0.62) EPHX2HPGDNAMPTABL1RIN1
SCHEMBL18074042 0.84 ABL1 (0.60) EPHX2HPGDNAMPTABL1RIN1
SCHEMBL16654264 0.83 ABL1 (0.58) EPHX2HPGDNAMPTABL1RIN1
SCHEMBL13671323 0.83 ABL1 (0.64) EPHX2HPGDNAMPTABL1RIN1
SCHEMBL22087298 0.81 L3MBTL3 (0.64) EPHX2NAMPTABL1RIN1CYP17A1
SCHEMBL31173095 0.81 POLB (0.51) EPHX2ALOX15POLBLMNAMEN1
SCHEMBL993933 0.81 GAA (0.64) NAMPTPOLBMEN1KMT2ADRD2
SCHEMBL2378092 0.81 NAMPT (0.54) HPGDALOX15NAMPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 — — EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — WO disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — 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 (1 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 EPHX2 1617/4885HPGD 1215/4885ALOX15 3839/4885

“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.