SCHEMBL2594046

SCHEMBL2594046

Cc1cc(-c2cc[nH]c(=O)c2)c(CN)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ NOTUM Q6P988 1/20 0.39
▸ ALDH2 P05091 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ PRMT5 O14744 3/20 0.33
▸ WDR77 Q9BQA1 3/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL1695002 0.79 PDE4A (0.47) PDE3BPDE3AKDM4EPKMPARP1
SCHEMBL2594045 0.77 PDE3B (0.50) PDE3BPDE3AKDM4EMAPK14
SCHEMBL1695218 0.69 MAPK1 (0.46) KDM4EPKMPARP1GAAMEN1
Hydrochloric Acid SCHEMBL1694763 0.68 MAPK1 (0.44) KDM4EPKMPARP1GAAMEN1
SCHEMBL16493428 0.66 KDM4E (0.42) KDM4EPKMPARP1GAAMEN1
SCHEMBL2594097 0.66 KDM4E (0.46) PDE3BPDE3AKDM4EPKMPARP1
SCHEMBL6042142 0.66 NOTUM (0.77) PDE3BPDE3ANOTUMALDH2MAP4K4
Hydrochloric Acid SCHEMBL2591197 0.65 KDM4E (0.45) PDE3BPDE3AKDM4EPKMPARP1
Hydrochloric Acid SCHEMBL21489626 0.65 KDM4E (0.41) KDM4EPKMPARP1GAAMEN1
SCHEMBL15781397 0.65 GAA (0.51) PDE3BPDE3ANOTUMALDH2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2019-11-19 — — US disclosed
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2018-07-26 — — US disclosed
US-9956210-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 — — EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 — — US disclosed
US-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2017-04-06 — — US disclosed
US-9562041-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2017-02-07 — — US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 — — US disclosed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 — — EP disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 — — US disclosed
EP-2646020-A1 INDOLES GlaxoSmithKline LLC (US) 2013-10-09 — — EP disclosed
US-20130245016-A1 INDOLES GLAXOSMITHKLINE LLC 2013-09-19 — — US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 — — US disclosed
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 — — EP disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 — — EP disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 — — US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 — — US disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 — — WO disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 — — WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 — — 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 (7 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-20130245016-A1 INDOLES IDO1, IDO2, INMT PDE3B 1868/4885PDE3A 2241/4885NOTUM 3520/4885
US-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B PDE3B 1430/4885PDE3A 1639/4885NOTUM 2219/4885
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 PDE3B 4215/4885PDE3A 4305/4885NOTUM 2759/4885
US-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 PDE3B 4215/4885PDE3A 4305/4885NOTUM 2759/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 PDE3B 4215/4885PDE3A 4305/4885NOTUM 2759/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT PDE3B 1887/4885PDE3A 2267/4885NOTUM 3564/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT PDE3B 1868/4885PDE3A 2241/4885NOTUM 3520/4885

“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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