SCHEMBL5583314

SCHEMBL5583314

CCCC[C@H]1C(=O)N(c2cccc(C)c2C)CCN1Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.72
FNTB P49356 19/20 0.72
PGGT1B P53609 6/20 0.72
KCNH2 Q12809 2/20 0.47
NRAS P01111 1/20 0.46
HRAS P01112 1/20 0.46

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
SCHEMBL2676603 0.94 FNTA (0.63) FNTAFNTBPGGT1BKCNH2
SCHEMBL4405095 0.94 FNTA (0.63) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL8590479 0.93 FNTA (0.62) FNTAFNTBPGGT1BKCNH2
SCHEMBL28013379 0.88 FNTA (0.55) FNTAFNTBPGGT1BKCNH2
SCHEMBL31472029 0.84 FNTA (1.00) FNTAFNTBPGGT1BKCNH2NRAS
SCHEMBL445625 0.84 FNTA (1.00) FNTAFNTBPGGT1BKCNH2NRAS
SCHEMBL445627 0.84 FNTA (1.00) FNTAFNTBPGGT1BKCNH2NRAS
SCHEMBL7855591 0.82 FNTA (1.00) FNTAFNTBPGGT1BKCNH2NRAS
SCHEMBL7834328 0.79 FNTA (1.00) FNTAFNTBPGGT1BKCNH2NRAS
Hydrochloric Acid SCHEMBL7849191 0.79 FNTA (0.98) FNTAFNTBPGGT1BKCNH2NRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190202809-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-07-04 US disclosed
EP-2797875-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 Pharmacyclics, Inc. (US) 2014-11-05 EP disclosed
WO-2013101600-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 PHARMACYCLICS, INC. (US) 2013-07-04 WO disclosed
US-20070293539-A1 Methods for the treatment of synucleinopathies NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-12-20 US disclosed
EP-1556052-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-11-02 EP disclosed
EP-1465896-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
WO-2005118584-A2 SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER AXYS PHARMACEUTICALS, INC. (US) 2005-12-15 WO disclosed
EP-1515949-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6958340-B2 such as N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(2-phenyl-1H-imidazol-1-yl)pyrimidin-2-amine; treating breast cancer; use in combination with estrogen receptor modulators such as tamoxifen and raloxifene MERCK & CO., INC. (US) 2005-10-25 US disclosed
EP-1556052-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-07-27 EP disclosed
EP-1515949-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-23 EP disclosed
US-20040220201-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-11-04 US disclosed
EP-1465896-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-10-13 EP disclosed
WO-2004037171-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-05-06 WO disclosed
WO-2003106417-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 WO disclosed
WO-2003050122-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 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 (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-20070293539-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN FNTA 24/4885FNTB 49/4885PGGT1B 2532/4885
US-20040220201-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 FNTA 2966/4885FNTB 3554/4885PGGT1B 4287/4885
US-20190202809-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH FNTA 1583/4885FNTB 1494/4885PGGT1B 2063/4885

“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.