SCHEMBL5752803

SCHEMBL5752803

O=C(c1cncs1)c1cncs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
HDAC8 Q9BY41 1/20 0.40
PIK3CD O00329 1/20 0.39
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
NAMPT P43490 1/20 0.35
ABL1 P00519 1/20 0.35
GRM4 Q14833 1/20 0.34
ACACB O00763 2/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM5 P41594 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL2170819 0.82
SCHEMBL954218 0.80
SCHEMBL27983255 0.80
SCHEMBL299024 0.80
SCHEMBL10715836 0.80
Hydrochloric Acid SCHEMBL26978407 0.80 KMT2A (0.44) KMT2AHDAC8PIK3CDIDO1TDO2
SCHEMBL2009396 0.80
Water SCHEMBL23727754 0.78
SCHEMBL27926586 0.78
Hydrochloric Acid SCHEMBL28317604 0.78 KMT2A (0.43) KMT2AHDAC8PIK3CDIDO1TDO2

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
CN-103998042-A Use of inhibitors of the activity or function of PI3K NOVARTIS AG 2014-08-20 CN claimed
CN-102971317-A Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG 2013-03-13 CN claimed
EP-3048156-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
EP-3048155-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
CN-104086565-A FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB 2014-10-08 CN disclosed
CN-103998042-A Use of inhibitors of the activity or function of PI3K NOVARTIS AG 2014-08-20 CN disclosed
CN-102971317-A Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG 2013-03-13 CN disclosed
CN-102245605-A Fused, spirocyclic heteroaromatic compounds for the treatment of bacterial infections ASTRAZENECA AB 2011-11-16 CN disclosed
US-7084149-B2 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
US-20030236274-A1 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-25 US disclosed
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 WO disclosed
US-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
US-5604224-A NEURODEGENERATIVE DISORDERS STERLING WINTHROP INC. (US) 1997-02-18 US disclosed
US-5569655-A Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof STERLING WINTHROP INC. (US) 1996-10-29 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed
EP-0647641-A1 Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof STERLING WINTHROP INC. (US) 1995-04-12 EP disclosed
EP-0623130-A1 ANTIBACTERIAL 1-NORMON-2-YL THIAZOLYL KETONES SMITHKLINE BEECHAM PLC (GB) 1994-11-09 EP disclosed
WO-1993015072-A1 ANTIBACTERIAL 1-NORMON-2-YL THIAZOLYL KETONES SMITHKLINE BEECHAM PLC (GB) 1993-08-05 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 (1 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-20030236274-A1 Naphthalene derivatives, their production and use CYP17A1, CYP21A2, HSD17B1 KMT2A 1452/4885HDAC8 1051/4885PIK3CD 4572/4885

“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.