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

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.

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