Sugi Predict

Sugi Predict / Compounds / SCHEMBL4564162

SCHEMBL4564162

SCHEMBL4564162

CC(C)(C)OC(=O)N1CC=C(c2ccc(N)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.50
▸ PDK4 Q16654 1/20 0.46
▸ CDK7 P50613 1/20 0.45
▸ CDK13 Q14004 1/20 0.45
▸ CDK12 Q9NYV4 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ GRM1 Q13255 8/20 0.44
▸ GRM5 P41594 7/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TNK2 Q07912 1/20 0.43
▸ LIPC P11150 1/20 0.43
▸ LIPG Q9Y5X9 1/20 0.43
▸ BTK Q06187 1/20 0.42

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
SCHEMBL29656809 0.92 NAMPT (0.50) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL30778322 0.92 NAMPT (0.50) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL31129855 0.88 NAMPT (0.51) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL24794715 0.88 NAMPT (0.51) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL3985355 0.88 NAMPT (0.50) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL3316550 0.87 GRM1 (0.51) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL29709692 0.86 NAMPT (0.51) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL2946035 0.86 NAMPT (0.51) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL24793986 0.86 NAMPT (0.51) NAMPTPDK4CDK7CDK13CDK12
Lithium Ion SCHEMBL31454821 0.86 NAMPT (0.48) NAMPTPDK4CDK7CDK13CDK12

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421457-B1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MAN CO LTD (JP) 2021-10-06 — — EP disclosed
US-10912774-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-02-09 — — US disclosed
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-07-02 — — US disclosed
EP-3421457-A1 PYRIMIDINE FGFR4 INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2019-01-02 — — EP disclosed
EP-3057943-B1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MAN CO LTD (JP) 2018-04-25 — — EP disclosed
US-20170360785-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-12-21 — — US disclosed
US-20170360785-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-12-21 — — US disclosed
US-20170360785-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-12-21 — — US disclosed
US-9730931-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-15 — — US disclosed
US-9730931-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-15 — — US disclosed
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 — — WO disclosed
US-8901304-B1 Benzo[D]imidazole derivatives of piperidine and piperazine KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2014-12-02 — — US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 — — US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 — — US disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 — — EP disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 — — US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 — — US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 — — US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 — — WO disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 — — 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 (5 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-20170360785-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 NAMPT 327/4885PDK4 293/4885CDK7 147/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 NAMPT 1194/4885PDK4 3763/4885CDK7 362/4885
US-10912774-B2 Pyrimidine FGFR4 inhibitors FGFR4, FGFR1, FGFR3 NAMPT 327/4885PDK4 293/4885CDK7 147/4885
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 NAMPT 404/4885PDK4 2813/4885CDK7 750/4885
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 NAMPT 327/4885PDK4 293/4885CDK7 147/4885

“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.