Sugi Predict

Sugi Predict / Compounds / SCHEMBL55228

SCHEMBL55228

SCHEMBL55228

CC(C)n1ncc(C#N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PKM P14618 1/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ XDH P47989 2/20 0.40
▸ F2 P00734 1/20 0.39
▸ LPAR1 Q92633 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL4759855 0.85 KDM4E (0.41) KDM4EKMT2AMEN1PKMABL1
SCHEMBL25432012 0.81 KMT2A (0.42) KDM4EKMT2AMEN1PKMABL1
SCHEMBL25432010 0.81 KMT2A (0.42) KDM4EKMT2AMEN1PKMABL1
SCHEMBL1664856 0.80 PKM (0.41) KDM4EKMT2AMEN1PKMABL1
SCHEMBL4758468 0.79 KMT2A (0.43) KDM4EKMT2AMEN1XDHF2
SCHEMBL4351354 0.78 KDM5A (0.36) KDM4EKMT2AMEN1ALDH1A1POLB
SCHEMBL5823747 0.77 PKM (0.49) KDM4EKMT2AMEN1PKMABL1
SCHEMBL4360410 0.77 CDK2 (0.37) KDM4EKMT2AABL1KDRF2
SCHEMBL25291001 0.77 CDK2 (0.34) KDM4EKMT2AMEN1ABL1KDR
SCHEMBL4358089 0.77 CDK2 (0.40) KDM4EKMT2AMEN1ALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177327-A1 SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2019-06-13 — — US disclosed
EP-2688891-B1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-11-15 — — EP disclosed
EP-2688891-B1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-11-15 — — EP disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 — — US disclosed
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 — — US disclosed
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 — — US disclosed
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 — — US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 — — US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 — — US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 — — US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 — — US disclosed
US-20080217617-A1 Thin Film Transistor, Wiring Board and Methods of Manufacturing the Same ZEON CORPORATION (JP) 2008-09-11 — — US disclosed
US-7179801-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-02-20 — — US disclosed
EP-1392704-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2006-02-22 — — EP disclosed
US-20050153059-A1 Partial plating method, partially-plated resin base, method for manufacturing multilayered circuit board ZEON CORPORATION (JP) 2005-07-14 — — US disclosed
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 — — US disclosed
US-20040237295-A1 Multilayer circuit board and resin base material, and its production method ZEON CORPORATION (JP) 2004-12-02 — — US disclosed
CN-1522259-A Cephem compounds ����ҩƷ��ҵ��ʽ���� 2004-08-18 — — CN disclosed
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 — — EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 — — 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 (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-20170273985-A1 TRICYCLIC DERIVATIVE PDE3A, PDE2A, PDE5A KDM4E 2619/4885KMT2A 3493/4885MEN1 3503/4885
US-20190177327-A1 SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS PDE3A, PDE5A, PDE4A KDM4E 2147/4885KMT2A 2286/4885MEN1 1195/4885
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A KDM4E 1395/4885KMT2A 1837/4885MEN1 3449/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA KDM4E 3058/4885KMT2A 4054/4885MEN1 2410/4885
US-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 KDM4E 2903/4885KMT2A 2722/4885MEN1 520/4885

“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.