SCHEMBL1220117

SCHEMBL1220117

c1ccc(-c2nc3cn[nH]cc-3n2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
TDP1 Q9NUW8 5/20 0.59
L3MBTL1 Q9Y468 7/20 0.50
ALOX15 P16050 4/20 0.50
METAP2 P50579 1/20 0.49
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALPL P05186 2/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 5/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
METAP1 P53582 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL29354466 0.76 KDM4E (1.00) KDM4ETDP1L3MBTL1ALOX15METAP2
SCHEMBL322756 0.76 KDM4E (1.00) KDM4ETDP1L3MBTL1ALOX15METAP2
SCHEMBL29589848 0.76 AKT2 (0.61) KDM4ETDP1L3MBTL1ALOX15METAP2
SCHEMBL1555341 0.76 AKT2 (0.61) KDM4ETDP1L3MBTL1ALOX15METAP2
SCHEMBL1221248 0.76 AKT2 (0.61) TDP1L3MBTL1METAP2SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL30737454 0.74 AKT2 (0.59) KDM4ETDP1L3MBTL1ALOX15METAP2
SCHEMBL32681187 0.74 KDM4E (0.95) KDM4ETDP1L3MBTL1ALOX15METAP2
SCHEMBL11213260 0.74 KDM4E (0.95) KDM4ETDP1L3MBTL1ALOX15METAP2
SCHEMBL789163 0.74 KDM4E (0.95) KDM4ETDP1L3MBTL1ALOX15METAP2
SCHEMBL29171375 0.74 KDM4E (0.95) KDM4ETDP1L3MBTL1ALOX15METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed
EP-2178877-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GlaxoSmithKline LLC (US) 2010-04-28 EP disclosed
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 US disclosed
WO-2010006096-A1 PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 WO disclosed
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
US-20090074717-A1 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC 2009-03-19 US disclosed
WO-2009011787-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2009-01-22 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 (4 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-20090074717-A1 Anti-viral compounds, compositions, and methods of use HAVCR2, SARS1, RPL35 KDM4E 3172/4885TDP1 1477/4885L3MBTL1 3512/4885
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, RPL35 KDM4E 3172/4885TDP1 1477/4885L3MBTL1 3512/4885
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 KDM4E 3172/4885TDP1 1477/4885L3MBTL1 3512/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 KDM4E 2668/4885TDP1 2446/4885L3MBTL1 4728/4885

“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.