SCHEMBL595893

SCHEMBL595893

Cc1cnc(NC(=O)n2ccnc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.52
▸ RAB9A P51151 12/20 0.48
▸ NPC1 O15118 10/20 0.48
▸ PKM P14618 3/20 0.48
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ AHR P35869 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ FFAR2 O15552 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL354602 0.83 FFAR2 (0.42) SMN1; SMN2KMT2AAHRFFAR2
SCHEMBL595719 0.75 MEN1 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL27362325 0.74 GRM1 (0.40) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL595105 0.74 MAPT (0.52) SMN1; SMN2RAB9ANPC1PKMMAPT
SCHEMBL25297161 0.73 KMT2A (0.44) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL31416107 0.73 SCD (0.46) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3794688 0.72 RAB9A (0.62) SMN1; SMN2RAB9ANPC1PKMMEN1
SCHEMBL4224490 0.72 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1PKMMEN1
SCHEMBL1885511 0.71 PIK3CD (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL2175131 0.71 RAB9A (0.60) SMN1; SMN2RAB9ANPC1PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 — — US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 — — US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 — — US disclosed
CN-102325531-B Compounds and methods of use GENENTECH INC 2014-04-02 — — CN disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 — — EP disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 — — EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 — — US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 — — US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 — — US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 — — US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 — — US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 — — US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 — — US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 — — US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 — — US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 — — US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 — — US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 — — US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 — — US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 — — 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-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX SMN1; SMN2 1830/4885RAB9A 3166/4885NPC1 3311/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX SMN1; SMN2 1830/4885RAB9A 3166/4885NPC1 3311/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX SMN1; SMN2 1830/4885RAB9A 3166/4885NPC1 3311/4885

“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.

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