Sugi Predict

Sugi Predict / Compounds / SCHEMBL16078152

SCHEMBL16078152

SCHEMBL16078152

COC(=O)NCC1CN(C(C)(C)C)CCO1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.42
▸ CACNA1H O95180 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ PDK1 Q15118 3/20 0.33
▸ ACKR3 P25106 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL21166048 0.89 HCRTR2 (0.41) EPHX2CACNA1HKMT2ATSHRL3MBTL1
SCHEMBL19558823 0.89 HCRTR2 (0.41) EPHX2CACNA1HKMT2ATSHRL3MBTL1
SCHEMBL19558649 0.89 HCRTR2 (0.41) EPHX2CACNA1HKMT2ATSHRL3MBTL1
SCHEMBL17471149 0.87 EPHX2 (0.39) EPHX2CACNA1HHPGDKMT2ATSHR
SCHEMBL10200581 0.85 EPHX2 (0.41) EPHX2CACNA1HTSHRRAF1BRAF
SCHEMBL17471154 0.84 EPHX2 (0.40) EPHX2CACNA1HTSHRACKR3CYP2C9
SCHEMBL17471182 0.83 EPHX2 (0.42) EPHX2CACNA1HHPGDKMT2ATSHR
SCHEMBL16081468 0.81 ACKR3 (0.47) CACNA1HHPGDKMT2ATSHRPDK1
SCHEMBL10200590 0.81 EPHX2 (0.44) EPHX2KMT2APDK1MEN1KDM4E
SCHEMBL17471150 0.80 EPHX2 (0.52) EPHX2CACNA1HHPGDKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260207-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2017-09-14 — — US disclosed
US-9694016-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2017-07-04 — — US disclosed
US-20160038504-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-11 — — US disclosed
US-9242969-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 — — US disclosed
US-20140275003-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-09-18 — — 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 (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-20140275003-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS EPHX2 1222/4885CACNA1H 4872/4885HPGD 3169/4885
US-20170260207-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS EPHX2 1222/4885CACNA1H 4872/4885HPGD 3169/4885
US-20160038504-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS EPHX2 1222/4885CACNA1H 4872/4885HPGD 3169/4885

“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.