SCHEMBL4315865

SCHEMBL4315865

CC(C)(C)OC(=O)N1CCNCC1Cc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.49
▸ NR1H2 P55055 2/20 0.47
▸ NR1H3 Q13133 2/20 0.47
▸ DPP4 P27487 6/20 0.46
▸ DPP7 Q9UHL4 2/20 0.46
▸ GPR119 Q8TDV5 1/20 0.45
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CCR3 P51677 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ TACR1 P25103 3/20 0.38
▸ REN P00797 1/20 0.38

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
SCHEMBL27803548 0.88 PARP1 (0.50) PARP1NR1H2NR1H3DPP4DPP7
SCHEMBL873311 0.88 DPP4 (0.50) PARP1NR1H2NR1H3DPP4DPP7
SCHEMBL30642958 0.87 NR1H2 (0.49) PARP1NR1H2NR1H3DPP4DPP7
SCHEMBL873810 0.87 PARP1 (0.55) PARP1NR1H2NR1H3DPP4DPP7
SCHEMBL4309187 0.87 PARP1 (0.54) PARP1NR1H2NR1H3DPP4DPP7
SCHEMBL873429 0.87 PARP1 (0.54) PARP1NR1H2NR1H3DPP4DPP7
SCHEMBL873458 0.87 PARP1 (0.54) PARP1NR1H2NR1H3DPP4DPP7
SCHEMBL874385 0.86 PARP1 (0.48) PARP1NR1H2NR1H3DPP4HCRTR1
SCHEMBL10132273 0.84 GPR119 (0.49) NR1H2NR1H3DPP4DPP7GPR119
SCHEMBL31749405 0.83 PARP1 (0.48) PARP1NR1H2NR1H3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871765-B1 3-(INDAZOL-5-YL)-(1,2,4)TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2009-12-09 — — EP disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 — — US disclosed
CN-101146796-A 3-(indazol-5-yl)-(1,2,4)triazine derivatives and related compounds as protein kinase inhibitors for the treatment of cancer SCHERING CORP (US) 2008-03-19 — — CN disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 — — US disclosed
EP-1871765-A2 3-(INDAZOL-5-YL)-(1,2,4)TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-01-02 — — EP disclosed
WO-2006081230-A2 3-(INDAZOL-5-YL)-(1,2, 4) TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2006-08-03 — — 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-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 PARP1 1556/4885NR1H2 1656/4885NR1H3 1667/4885

“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.

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