SCHEMBL4317754

SCHEMBL4317754

CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
PARP1 P09874 1/20 0.48
HTR6 P50406 4/20 0.47
SLC6A4 P31645 1/20 0.44
DNMT1 P26358 2/20 0.42
PDE4D Q08499 3/20 0.42
BCHE P06276 1/20 0.41
TACR1 P25103 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
TACR2 P21452 1/20 0.40

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
SCHEMBL874366 1.00 POLB (0.49) POLBPARP1HTR6SLC6A4DNMT1
SCHEMBL6132884 1.00 POLB (0.49) POLBPARP1HTR6SLC6A4DNMT1
SCHEMBL12167363 0.85 HTR6 (0.60) POLBHTR6DNMT1BCHEHDAC3
SCHEMBL12303282 0.85 HTR6 (0.60) POLBHTR6DNMT1BCHEHDAC3
SCHEMBL2086518 0.84 PARP1 (0.50) PARP1KMT2A
SCHEMBL873459 0.82 PARP1 (0.54) PARP1KMT2A
SCHEMBL4325111 0.81 DPP4 (0.51) PARP1MAPT
SCHEMBL7828310 0.81 DNMT1 (0.61) HTR6SLC6A4DNMT1TACR1
SCHEMBL1258065 0.81 DNMT1 (0.61) HTR6SLC6A4DNMT1TACR1
SCHEMBL873458 0.80 PARP1 (0.54) PARP1SLC6A4HDAC1

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 3 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
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 US 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 POLB 1083/4885PARP1 1556/4885HTR6 4314/4885

“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.